![N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine structure](/static/products/6702/670258-92-1.webp)
N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine
TL;DR: N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine (CAS 670258-92-1) is a chemical compound with molecular formula C19H23NO4S and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,5-diethylphenyl)sulfonylamino]-3-phenylpropanoic acid
Also Known As: N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine, AQ-390/42121738, 3-[(2,5-diethylphenyl)sulfonylamino]-3-phenylpropanoic acid, 3-{[(2,5-diethylphenyl)sulfonyl]amino}-3-phenylpropanoic acid, 3-(2,5-DIETHYLBENZENESULFONAMIDO)-3-PHENYLPROPANOIC ACID
| Molecular Formula | C19H23NO4S |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 3.3057 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.13477 |
| Heavy Atoms | 25 |
| Complexity | 831.7575 |
Chemical Identifiers
| CAS Number | 670258-92-1 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)CC)S(=O)(=O)NC(CC(=O)O)C2=CC=CC=C2 |
Product Overview
N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine (CAS 670258-92-1), with molecular formula C19H23NO4S and molecular weight 361.13 g/mol. IUPAC: 3-[(2,5-diethylphenyl)sulfonylamino]-3-phenylpropanoic acid.
Chemical Property Profile of N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine
Property Insights of N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine
The XLogP value of 3.3057 indicates that N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine. Following Lipinski's Rule of Five, N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-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 N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine?
The CAS number of N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine is 670258-92-1.
What is the molecular formula of N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine?
The molecular formula of N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine is C19H23NO4S.
What is the molecular weight of N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine?
The molecular weight of N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine is 361.13 g/mol.
Where can I buy N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine?
You can request a quote for N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[(2,5-diethylphenyl)sulfonyl]-3-phenyl-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.