![3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid structure](/static/products/6120/612042-13-4.webp)
3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid
TL;DR: 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid (CAS 612042-13-4) is a chemical compound with molecular formula C10H10F3NO4S and molecular weight 297.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
Also Known As: 3-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid, IFLab1_005619, 3-((3-(trifluoromethyl)phenyl)sulfonamido)propanoic acid, 3-(3-(trifluoromethyl)phenylsulfonamido)propanoic acid, IDI1_011022
| Molecular Formula | C10H10F3NO4S |
|---|---|
| Molecular Weight | 297.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.02826 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 612042-13-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)O)C(F)(F)F |
| InChIKey | XNOHFTISYMPZGD-UHFFFAOYSA-N |
Product Overview
3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid (CAS 612042-13-4), with molecular formula C10H10F3NO4S and molecular weight 297.03 g/mol. IUPAC: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.
Chemical Property Profile of 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid
Property Insights of 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid. Following Lipinski's Rule of Five, 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid 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 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid?
The CAS number of 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid is 612042-13-4.
What is the molecular formula of 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid?
The molecular formula of 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid is C10H10F3NO4S.
What is the molecular weight of 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid?
The molecular weight of 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid is 297.03 g/mol.
Where can I buy 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid?
You can request a quote for 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.