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Also known as: 2649470-87-9, Suzetrigine impurity 2, Schembl23461552, Schembl31538187, H36249, (2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furancarboxylic acid
Molecular Formula
C15H15F5O4
Molecular Weight
354.27  g/mol
InChI Key
HMJBDIINGXHMMN-BEWJGFNTSA-N

CAS 2649470-87-9
1 2D Structure

CAS 2649470-87-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid
2.1.2 InChI
InChI=1S/C15H15F5O4/c1-6-9(7-4-5-8(16)10(17)11(7)23-3)12(13(21)22)24-14(6,2)15(18,19)20/h4-6,9,12H,1-3H3,(H,21,22)/t6-,9-,12+,14+/m0/s1
2.1.3 InChI Key
HMJBDIINGXHMMN-BEWJGFNTSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2649470-87-9

2. Suzetrigine Impurity 2

3. Schembl23461552

4. Schembl31538187

5. H36249

6. (2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furancarboxylic Acid

2.3 Create Date
2021-08-21
3 Chemical and Physical Properties
Molecular Weight 354.27 g/mol
Molecular Formula C15H15F5O4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area55.8
Heavy Atom Count24
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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01

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothQingmu Pharma: Patients first, FDA/CEP/US-DMF/US-VMF/ASMF APIs for Humans & Vets in 100+ countries.

Tetrahydro-4,5-dimethyl -5-(trifluoromethyl)-2- fu...

CAS Number : 2649470-87-9

End Use API :

About the Company : Sichuan Qingmu Pharmaceutical Co., Ltd. is an innovation-driven pharmaceutical company focused on regulated markets. We specialize in the R&D and manufacturing of generic APIs and advan...

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