![4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate structure](/static/products/858/858752-70-2.png)
4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
TL;DR: 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate (CAS 858752-70-2) 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-ethyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: EiM07-19770, 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate, (4-ethyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate, 4-ethyl-2-oxo-2H-chromen-7-yl 3-(4-methylphenylsulfonamido)propanoate, 4-ETHYL-2-OXO-2H-CHROMEN-7-YL 3-(4-METHYLBENZENESULFONAMIDO)PROPANOATE
| Molecular Formula | C21H21NO6S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 2.93782 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.10895 |
| Heavy Atoms | 29 |
| Complexity | 1196.0636 |
Chemical Identifiers
| CAS Number | 858752-70-2 |
|---|---|
| SMILES | CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate (CAS 858752-70-2), with molecular formula C21H21NO6S and molecular weight 415.11 g/mol. IUPAC: (4-ethyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
Property Insights of 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
The XLogP value of 2.93782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-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-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate. Following Lipinski's Rule of Five, 4-ethyl-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-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
The CAS number of 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate is 858752-70-2.
What is the molecular formula of 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
The molecular formula of 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate is C21H21NO6S.
What is the molecular weight of 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
The molecular weight of 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate is 415.11 g/mol.
Where can I buy 4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
You can request a quote for 4-ethyl-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-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-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.