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CAS 149105-26-0 manufacturers and suppliers on PharmaCompass

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CAS 149105-26-0
Also known as: 149105-26-0, Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate, 2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate, Gemfibrozil isobutyl ester, Dtxsid20576919, Zinc21298080
Molecular Formula
C19H30O3
Molecular Weight
306.4  g/mol
InChI Key
REPYTKNMHNVOPH-UHFFFAOYSA-N

1 2D Structure

CAS 149105-26-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate
2.1.2 InChI
InChI=1S/C19H30O3/c1-14(2)13-22-18(20)19(5,6)10-7-11-21-17-12-15(3)8-9-16(17)4/h8-9,12,14H,7,10-11,13H2,1-6H3
2.1.3 InChI Key
REPYTKNMHNVOPH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OCC(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 149105-26-0

2. Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate

3. 2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

4. Gemfibrozil Isobutyl Ester

5. Dtxsid20576919

6. Zinc21298080

7. Akos015890678

8. Ac-19610

9. Ft-0653809

10. 105i260

11. 2,2-dimethyl-5-(2,5-xylyloxy) Valeric Isobutyl Ester

12. Isobutyl5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

2.3 Create Date
2007-02-12
3 Chemical and Physical Properties
Molecular Weight 306.4 g/mol
Molecular Formula C19H30O3
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass306.21949481 g/mol
Monoisotopic Mass306.21949481 g/mol
Topological Polar Surface Area35.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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149105-26-0
Gemfibrozil
Hikal is an established provider of research services, active ingredients, intermediates and regulatory s...
Hikal is an established provider of research services, active ingredients, intermediates and regulatory starting materials under cGMP conditions to thePharmaceutical, Crop Protection and Specialty Chemicals industry. Our manufacturing facilities located in India have also been certified by the US FDA, TGA, PMDA & are ISO 9001:2008, ISO 14001, OHSAS 18001 certified and audited by global innovator, generic and biotech companies. We are a 'Responsible Care' certified company which values and respects the Intellectual property rights of our customers.Strengths: Custom Synthesis; Contract Manufacturing; Process Development, Scale-up expertise.
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