Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate
TL;DR: Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate (CAS 331626-97-2) is a chemical compound with molecular formula C12H17NO5S and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methoxy-N-methylsulfonylanilino)propanoate
Also Known As: CBKinase1_000570, CBKinase1_012970, Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate, BAS 00550535, methyl 2-(4-methoxy-N-methylsulfonylanilino)propanoate
| Molecular Formula | C12H17NO5S |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.0227 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.08273 |
| Heavy Atoms | 19 |
| Complexity | 537.7431 |
Chemical Identifiers
| CAS Number | 331626-97-2 |
|---|---|
| SMILES | CC(C(=O)OC)N(C1=CC=C(C=C1)OC)S(=O)(=O)C |
Product Overview
Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate (CAS 331626-97-2), with molecular formula C12H17NO5S and molecular weight 287.08 g/mol. IUPAC: methyl 2-(4-methoxy-N-methylsulfonylanilino)propanoate.
Chemical Property Profile of Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate
Property Insights of Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate
The XLogP value of 1.0227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate. Following Lipinski's Rule of Five, Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate has 0 hydrogen bond donor(s) and 5 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 Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate?
The CAS number of Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate is 331626-97-2.
What is the molecular formula of Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate?
The molecular formula of Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate is C12H17NO5S.
What is the molecular weight of Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate?
The molecular weight of Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate is 287.08 g/mol.
Where can I buy Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate?
You can request a quote for Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(4-methoxyphenyl)-N-(methylsulfonyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.