![N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine structure](/static/products/5609/5609-75-6.webp)
N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine
TL;DR: N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine (CAS 5609-75-6) is a chemical compound with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[benzenesulfonamido(phenyl)methylidene]amino]-3-phenylpropanoic acid
Also Known As: N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine, N-{(E)-phenyl[(phenylsulfonyl)imino]methyl}phenylalanine, 2-[[benzenesulfonamido(phenyl)methylidene]amino]-3-phenylpropanoic acid, (E)-N-[(Benzenesulfonamido)(phenyl)methylidene]phenylalanine, (E)-3-phenyl-2-(N'-(phenylsulfonyl)benzimidamido)propanoic acid
| Molecular Formula | C22H20N2O4S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 3.1076 |
| Topological Polar Surface Area | 95.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.11438 |
| Heavy Atoms | 29 |
| Complexity | 1083.4307 |
Chemical Identifiers
| CAS Number | 5609-75-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)N=C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 |
Product Overview
N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine (CAS 5609-75-6), with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol. IUPAC: 2-[[benzenesulfonamido(phenyl)methylidene]amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine
Property Insights of N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine
The XLogP value of 3.1076 indicates that N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine. Following Lipinski's Rule of Five, N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine has 2 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-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine?
The CAS number of N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine is 5609-75-6.
What is the molecular formula of N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine?
The molecular formula of N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine is C22H20N2O4S.
What is the molecular weight of N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine?
The molecular weight of N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine is 408.11 g/mol.
Where can I buy N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine?
You can request a quote for N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-{phenyl[(phenylsulfonyl)imino]methyl}phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.