Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate
TL;DR: Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate (CAS 1040555-74-5) is a chemical compound with molecular formula C12H16ClNO5S and molecular weight 321.04376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoate
Also Known As: Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate, methyl 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoate, alanine, N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)-, methyl ester, METHYL 2-[N-(5-CHLORO-2-METHOXYPHENYL)METHANESULFONAMIDO]PROPANOATE, MethylN-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate
Technical Specifications
| Molecular Formula | C12H16ClNO5S |
| Molecular Weight | 321.04376 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.04376 Da |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
| SMILES | CC(C(=O)OC)N(C1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C |
| InChIKey | ZLKKCUGFYNRBHH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate
Property Insights of Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate. Following Lipinski's Rule of Five, Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate?
The CAS number of Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate is 1040555-74-5.
What is the molecular formula of Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate?
The molecular formula of Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate is C12H16ClNO5S.
What is the molecular weight of Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate?
The molecular weight of Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate is 321.04376 g/mol.
Where can I buy Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate?
You can request a quote for Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate?
Yes, CoreyChem provides custom synthesis services for Methyl N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.