CAS 1450904-92-3 manufacturers and suppliers on PharmaCompass

CAS 1450904-92-3

ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

Virtual Booth

Contact Supplier

Cohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 6 Related Intermediates

1 Suppliers
1 End Use APIs
6 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Schembl15213356, 1450904-92-3, Skzooqsxawllow-fxawdemlsa-n, [(1r,2s)-2-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonyloxymethyl]cyclopropyl]methyl acetate, [(1r,2s)-2-(3-fluorophenyl)-2-{[(4-methylbenzenesulfonyl)oxy]methyl}cyclopropyl]methyl acetate

Molecular Formula

C₂₀H₂₁FO₅S

Molecular Weight

392.4 g/mol

InChI Key

SKZOOQSXAWLLOW-FXAWDEMLSA-N

1 2D Structure

CAS 1450904-92-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1R,2S)-2-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonyloxymethyl]cyclopropyl]methyl acetate

2.1.2 InChI

InChI=1S/C20H21FO5S/c1-14-6-8-19(9-7-14)27(23,24)26-13-20(11-17(20)12-25-15(2)22)16-4-3-5-18(21)10-16/h3-10,17H,11-13H2,1-2H3/t17-,20+/m0/s1

2.1.3 InChI Key

SKZOOQSXAWLLOW-FXAWDEMLSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl15213356

2. 1450904-92-3

3. Skzooqsxawllow-fxawdemlsa-n

4. [(1r,2s)-2-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonyloxymethyl]cyclopropyl]methyl Acetate

5. [(1r,2s)-2-(3-fluorophenyl)-2-{[(4-methylbenzenesulfonyl)oxy]methyl}cyclopropyl]methyl Acetate

2.3 Create Date

2013-09-23

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₁FO₅S
Molecular Weight	392.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	78.1
Heavy Atom Count	27
Formal Charge	0
Complexity	623
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