N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine
TL;DR: N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine (CAS 1009535-60-7) is a chemical compound with molecular formula C16H17NO5S and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-methylsulfonyl-4-phenoxyanilino)propanoic acid
Also Known As: N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine, 2-(N-methylsulfonyl-4-phenoxyanilino)propanoic acid, alanine, N-(methylsulfonyl)-N-(4-phenoxyphenyl)-, 2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoic Acid, 2-[N-(4-PHENOXYPHENYL)METHANESULFONAMIDO]PROPANOIC ACID
| Molecular Formula | C16H17NO5S |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 2.718 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.08273 |
| Heavy Atoms | 23 |
| Complexity | 771.8777 |
Chemical Identifiers
| CAS Number | 1009535-60-7 |
|---|---|
| SMILES | CC(C(=O)O)N(C1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C |
Product Overview
N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine (CAS 1009535-60-7), with molecular formula C16H17NO5S and molecular weight 335.08 g/mol. IUPAC: 2-(N-methylsulfonyl-4-phenoxyanilino)propanoic acid.
Chemical Property Profile of N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine
Property Insights of N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine
The XLogP value of 2.718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine. Following Lipinski's Rule of Five, N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine has 1 hydrogen bond donor(s) and 4 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 N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine?
The CAS number of N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine is 1009535-60-7.
What is the molecular formula of N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine?
The molecular formula of N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine is C16H17NO5S.
What is the molecular weight of N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine?
The molecular weight of N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine is 335.08 g/mol.
Where can I buy N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine?
You can request a quote for N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.