![4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate structure](/static/products/858/858749-55-0.png)
4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
TL;DR: 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate (CAS 858749-55-0) is a chemical compound with molecular formula C21H21NO6S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,8-dimethyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: EiM07-28646, 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate, 4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-(4-methylphenylsulfonamido)propanoate, (4,8-dimethyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate, 4,8-DIMETHYL-2-OXO-2H-CHROMEN-7-YL 3-(4-METHYLBENZENESULFONAMIDO)PROPANOATE
| Molecular Formula | C21H21NO6S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 2.99226 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.10895 |
| Heavy Atoms | 29 |
| Complexity | 1226.5013 |
Chemical Identifiers
| CAS Number | 858749-55-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C3=C(C=C2)C(=CC(=O)O3)C)C |
Product Overview
4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate (CAS 858749-55-0), with molecular formula C21H21NO6S and molecular weight 415.11 g/mol. IUPAC: (4,8-dimethyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
Property Insights of 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
The XLogP value of 2.99226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate. Following Lipinski's Rule of Five, 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate 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 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
The CAS number of 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate is 858749-55-0.
What is the molecular formula of 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
The molecular formula of 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate is C21H21NO6S.
What is the molecular weight of 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
The molecular weight of 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate is 415.11 g/mol.
Where can I buy 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
You can request a quote for 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.