N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine
TL;DR: N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine (CAS 612043-43-3) is a chemical compound with molecular formula C10H9ClF3NO4S and molecular weight 330.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
Also Known As: 3-((4-chloro-3-(trifluoromethyl)phenyl)sulfonamido)propanoic acid, 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic Acid, 3-[4-chloro-3-(trifluoromethyl)benzenesulfonamido]propanoic acid, 3-([[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]amino)propanoic acid, 3-({[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}amino)propanoic acid
| Molecular Formula | C10H9ClF3NO4S |
|---|---|
| Molecular Weight | 330.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.9893 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 612043-43-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)NCCC(=O)O)C(F)(F)F)Cl |
| InChIKey | LESWHGIWOFMIHL-UHFFFAOYSA-N |
Product Overview
N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine (CAS 612043-43-3), with molecular formula C10H9ClF3NO4S and molecular weight 330.99 g/mol. IUPAC: 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.
Chemical Property Profile of N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine
Property Insights of N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine. Following Lipinski's Rule of Five, N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine has 2 hydrogen bond donor(s) and 8 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-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine?
The CAS number of N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine is 612043-43-3.
What is the molecular formula of N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine?
The molecular formula of N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine is C10H9ClF3NO4S.
What is the molecular weight of N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine?
The molecular weight of N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine is 330.99 g/mol.
Where can I buy N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine?
You can request a quote for N-((4-Chloro-3-(trifluoromethyl)phenyl)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-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.