![ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate structure](/static/products/4735/473564-73-7.webp)
ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate
TL;DR: ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate (CAS 473564-73-7) is a chemical compound with molecular formula C20H24N2O6S and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-methoxy-N-methylsulfonylanilino)propanoylamino]benzoate
Also Known As: BAS 02208917, ethyl 4-({2-[4-methoxy(methylsulfonyl)anilino]propanoyl}amino)benzoate, ethyl 4-(2-(N-(4-methoxyphenyl)methylsulfonamido)propanamido)benzoate, ethyl 4-[2-(4-methoxy-N-methylsulfonylanilino)propanoylamino]benzoate, ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate
| Molecular Formula | C20H24N2O6S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 2.6651 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.1355 |
| Heavy Atoms | 29 |
| Complexity | 955.4709 |
Chemical Identifiers
| CAS Number | 473564-73-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C |
Product Overview
ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate (CAS 473564-73-7), with molecular formula C20H24N2O6S and molecular weight 420.14 g/mol. IUPAC: ethyl 4-[2-(4-methoxy-N-methylsulfonylanilino)propanoylamino]benzoate.
Chemical Property Profile of ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate
Property Insights of ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate
The XLogP value of 2.6651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate 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 ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate?
The CAS number of ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate is 473564-73-7.
What is the molecular formula of ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate?
The molecular formula of ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate is C20H24N2O6S.
What is the molecular weight of ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate?
The molecular weight of ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate is 420.14 g/mol.
Where can I buy ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate?
You can request a quote for ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.