![N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine structure](/static/products/2946/294661-61-3.webp)
N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine
TL;DR: N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine (CAS 294661-61-3) is a chemical compound with molecular formula C15H15NO5S and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-phenoxyphenyl)sulfonylamino]propanoic acid
Also Known As: hydrochloricacid, N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine, b-Alanine,N-[(4-phenoxyphenyl)sulfonyl]-, 3-(4-phenoxyphenylsulfonamido)propanoic acid, 3-[(4-phenoxyphenyl)sulfonylamino]propanoic acid
| Molecular Formula | C15H15NO5S |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.0671 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 294661-61-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O |
| InChIKey | NFWALENORDGHOL-UHFFFAOYSA-N |
Product Overview
N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine (CAS 294661-61-3), with molecular formula C15H15NO5S and molecular weight 321.07 g/mol. IUPAC: 3-[(4-phenoxyphenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine
Property Insights of N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine. Following Lipinski's Rule of Five, N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine has 2 hydrogen bond donor(s) and 6 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-[(4-phenoxyphenyl)sulfonyl]-beta-alanine?
The CAS number of N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine is 294661-61-3.
What is the molecular formula of N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine?
The molecular formula of N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine is C15H15NO5S.
What is the molecular weight of N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine?
The molecular weight of N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine is 321.07 g/mol.
Where can I buy N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine?
You can request a quote for N-[(4-phenoxyphenyl)sulfonyl]-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-[(4-phenoxyphenyl)sulfonyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.