CAS 853269-57-5 manufacturers and suppliers on PharmaCompass

CAS 853269-57-5

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 25 Related Intermediates

1 Suppliers
1 End Use APIs
25 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 853269-57-5, Schembl1537637, Dtxsid00718012, Zinc71974124, Tert-butyl (1r,2s)-1-(1-methylcyclopropylsulfonyl-carbamoyl)-2-vinylcyclopropylcarbamate, Tert-butyl ((1r,2s)-1-(((1-methylcyclopropyl)sulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamate

Molecular Formula

C₁₅H₂₄N₂O₅S

Molecular Weight

344.4 g/mol

InChI Key

GUDBJYOHDUEFPZ-MEBBXXQBSA-N

1 2D Structure

CAS 853269-57-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamate

2.1.2 InChI

InChI=1S/C15H24N2O5S/c1-6-10-9-15(10,16-12(19)22-13(2,3)4)11(18)17-23(20,21)14(5)7-8-14/h6,10H,1,7-9H2,2-5H3,(H,16,19)(H,17,18)/t10-,15-/m1/s1

2.1.3 InChI Key

GUDBJYOHDUEFPZ-MEBBXXQBSA-N

2.1.4 Canonical SMILES

CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C=C)NC(=O)OC(C)(C)C

2.1.5 Isomeric SMILES

CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C=C)NC(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 853269-57-5

2. Schembl1537637

3. Dtxsid00718012

4. Zinc71974124

5. Tert-butyl (1r,2s)-1-(1-methylcyclopropylsulfonyl-carbamoyl)-2-vinylcyclopropylcarbamate

6. Tert-butyl ((1r,2s)-1-(((1-methylcyclopropyl)sulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamate

7. Tert-butyl {(1r,2s)-2-ethenyl-1-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]cyclopropyl}carbamate

8. Tert-butyl N-[(1r,2s)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamate

9. Tert-butyl((1r,2s)-1-(((1-methylcyclopropyl)sulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamate

2.3 Create Date

2012-02-23

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₄N₂O₅S
Molecular Weight	344.4 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	344.14059304 g/mol
Monoisotopic Mass	344.14059304 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	640
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1