1,2,3,4-四氢异喹啉甲酸
TL;DR: 1,2,3,4-四氢异喹啉甲酸 (CAS 5926-71-6) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-四氢异喹啉甲酸
1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Also Known As: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid, 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid, THIQC, ChemDiv2_002122, Tetrahydroisoquinoline carboxylic acid
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 5926-71-6 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)C(=O)O |
| InChIKey | OXFGRWIKQDSSLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-四氢异喹啉甲酸 (CAS 5926-71-6), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.
Chemical Property Profile of 1,2,3,4-四氢异喹啉甲酸
Property Insights of 1,2,3,4-四氢异喹啉甲酸
The XLogP value of -1.2 indicates that 1,2,3,4-四氢异喹啉甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, 1,2,3,4-四氢异喹啉甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-四氢异喹啉甲酸 has 2 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 1,2,3,4-四氢异喹啉甲酸?
The CAS number of 1,2,3,4-四氢异喹啉甲酸 is 5926-71-6.
What is the molecular formula of 1,2,3,4-四氢异喹啉甲酸?
The molecular formula of 1,2,3,4-四氢异喹啉甲酸 is C10H11NO2.
What is the molecular weight of 1,2,3,4-四氢异喹啉甲酸?
The molecular weight of 1,2,3,4-四氢异喹啉甲酸 is 177.08 g/mol.
Where can I buy 1,2,3,4-四氢异喹啉甲酸?
You can request a quote for 1,2,3,4-四氢异喹啉甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-四氢异喹啉甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-四氢异喹啉甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.