(S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate
TL;DR: (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate (CAS 956050-83-2) is a chemical compound with molecular formula C24H27NO6S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethyl-8-methyl-2-oxochromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
Also Known As: (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate, 4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-valinate, (4-ethyl-8-methyl-2-oxochromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate, 4-ETHYL-8-METHYL-2-OXO-2H-CHROMEN-7-YL 3-METHYL-2-(4-METHYLBENZENESULFONAMIDO)BUTANOATE
| Molecular Formula | C24H27NO6S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 3.88074 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.1559 |
| Heavy Atoms | 32 |
| Complexity | 1306.8091 |
Chemical Identifiers
| CAS Number | 956050-83-2 |
|---|---|
| SMILES | CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
(S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate (CAS 956050-83-2), with molecular formula C24H27NO6S and molecular weight 457.16 g/mol. IUPAC: (4-ethyl-8-methyl-2-oxochromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate.
Chemical Property Profile of (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate
Property Insights of (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate
The XLogP value of 3.88074 indicates that (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate. Following Lipinski's Rule of Five, (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
The CAS number of (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate is 956050-83-2.
What is the molecular formula of (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
The molecular formula of (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate is C24H27NO6S.
What is the molecular weight of (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
The molecular weight of (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate is 457.16 g/mol.
Where can I buy (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
You can request a quote for (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.