![(3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid structure](/static/products/1212/1212461-38-5.webp)
(3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1212461-38-5) is a chemical compound with molecular formula C17H14F3NO4S and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid, (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
| Molecular Formula | C17H14F3NO4S |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 2.9056 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.05957 |
| Heavy Atoms | 26 |
| Complexity | 956.4755 |
Chemical Identifiers
| CAS Number | 1212461-38-5 |
|---|---|
| SMILES | C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C(=O)O |
Product Overview
(3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1212461-38-5), with molecular formula C17H14F3NO4S and molecular weight 385.06 g/mol. IUPAC: (3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 2.9056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has 1 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 (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1212461-38-5.
What is the molecular formula of (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C17H14F3NO4S.
What is the molecular weight of (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 385.06 g/mol.
Where can I buy (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.