1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid
TL;DR: 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid (CAS 92932-75-7) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Also Known As: EU 4881, 1,2,3,4 Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid, 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(3-mercapto-1-oxopropyl)-, 2-(3-sulfanylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 92932-75-7 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)C(=O)O)C(=O)CCS |
| InChIKey | ARBBMPDGVLNWHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid (CAS 92932-75-7), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid.
Chemical Property Profile of 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid
Property Insights of 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid. With a topological polar surface area (TPSA) of 58.6 Ų, 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid has 2 hydrogen bond donor(s) and 4 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 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid?
The CAS number of 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid is 92932-75-7.
What is the molecular formula of 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid?
The molecular formula of 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid is C13H15NO3S.
What is the molecular weight of 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid?
The molecular weight of 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid is 265.08 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid?
You can request a quote for 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.