(S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate
TL;DR: (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate (CAS 956705-59-2) is a chemical compound with molecular formula C30H31NO6S and molecular weight 533.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
Also Known As: (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate, 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-valinate, (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate, 3-BENZYL-4,8-DIMETHYL-2-OXO-2H-CHROMEN-7-YL 3-METHYL-2-(4-METHYLBENZENESULFONAMIDO)BUTANOATE
| Molecular Formula | C30H31NO6S |
|---|---|
| Molecular Weight | 533.19 g/mol |
| LogP | 5.21756 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.1872 |
| Heavy Atoms | 38 |
| Complexity | 1638.7233 |
Chemical Identifiers
| CAS Number | 956705-59-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C |
Product Overview
(S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate (CAS 956705-59-2), with molecular formula C30H31NO6S and molecular weight 533.19 g/mol. IUPAC: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate.
Chemical Property Profile of (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate
Property Insights of (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate
The XLogP value of 5.21756 indicates that (S)-3-benzyl-4,8-dimethyl-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)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate. Following Lipinski's Rule of Five, (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
The CAS number of (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate is 956705-59-2.
What is the molecular formula of (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
The molecular formula of (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate is C30H31NO6S.
What is the molecular weight of (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
The molecular weight of (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate is 533.19 g/mol.
Where can I buy (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
You can request a quote for (S)-3-benzyl-4,8-dimethyl-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)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-benzyl-4,8-dimethyl-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.