ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate
TL;DR: ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate (CAS 1008186-00-2) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(N-methylsulfonyl-4-phenoxyanilino)propanoate
Also Known As: ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate, AH-487/41309308, ethyl 2-(N-methylsulfonyl-4-phenoxyanilino)propanoate, ethyl 2-[(methylsulfonyl)-4-phenoxyanilino]propanoate, ethyl 2-(N-(4-phenoxyphenyl)methylsulfonamido)propanoate
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 3.1965 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 803.1199 |
Chemical Identifiers
| CAS Number | 1008186-00-2 |
|---|---|
| SMILES | CCOC(=O)C(C)N(C1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C |
Product Overview
ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate (CAS 1008186-00-2), with molecular formula C18H21NO5S and molecular weight 363.11 g/mol. IUPAC: ethyl 2-(N-methylsulfonyl-4-phenoxyanilino)propanoate.
Chemical Property Profile of ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate
Property Insights of ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate
The XLogP value of 3.1965 indicates that ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate. Following Lipinski's Rule of Five, ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)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 ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate?
The CAS number of ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate is 1008186-00-2.
What is the molecular formula of ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate?
The molecular formula of ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate is C18H21NO5S.
What is the molecular weight of ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate?
The molecular weight of ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate is 363.11 g/mol.
Where can I buy ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate?
You can request a quote for ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(methylsulfonyl)-N-(4-phenoxyphenyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.