2-methyl-N-(phenylsulfonyl)alanine
TL;DR: 2-methyl-N-(phenylsulfonyl)alanine (CAS 105441-80-3) is a chemical compound with molecular formula C10H13NO4S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonamido)-2-methylpropanoic acid
Also Known As: 2-methyl-N-(phenylsulfonyl)alanine, Alanine, 2-methyl-N-(phenylsulfonyl)-, 2-benzenesulfonamido-2-methylpropanoic acid, 2-(benzenesulfonamido)-2-methylpropanoic acid, J3.611.418E
| Molecular Formula | C10H13NO4S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 0.8281 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.05653 |
| Heavy Atoms | 16 |
| Complexity | 478.80032 |
Chemical Identifiers
| CAS Number | 105441-80-3 |
|---|---|
| SMILES | CC(C)(C(=O)O)NS(=O)(=O)C1=CC=CC=C1 |
Product Overview
2-methyl-N-(phenylsulfonyl)alanine (CAS 105441-80-3), with molecular formula C10H13NO4S and molecular weight 243.06 g/mol. IUPAC: 2-(benzenesulfonamido)-2-methylpropanoic acid.
Chemical Property Profile of 2-methyl-N-(phenylsulfonyl)alanine
Property Insights of 2-methyl-N-(phenylsulfonyl)alanine
The XLogP value of 0.8281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-(phenylsulfonyl)alanine. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-(phenylsulfonyl)alanine. Following Lipinski's Rule of Five, 2-methyl-N-(phenylsulfonyl)alanine has 2 hydrogen bond donor(s) and 3 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 2-methyl-N-(phenylsulfonyl)alanine?
The CAS number of 2-methyl-N-(phenylsulfonyl)alanine is 105441-80-3.
What is the molecular formula of 2-methyl-N-(phenylsulfonyl)alanine?
The molecular formula of 2-methyl-N-(phenylsulfonyl)alanine is C10H13NO4S.
What is the molecular weight of 2-methyl-N-(phenylsulfonyl)alanine?
The molecular weight of 2-methyl-N-(phenylsulfonyl)alanine is 243.06 g/mol.
Where can I buy 2-methyl-N-(phenylsulfonyl)alanine?
You can request a quote for 2-methyl-N-(phenylsulfonyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(phenylsulfonyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(phenylsulfonyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.