(3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
TL;DR: (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate (CAS 76824-99-2) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Also Known As: J1.063.442C, (s)-6-hydroxy-tetrahydroisoquinoline-3-carboxylic acid, 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 0.4911 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 375.6299 |
Chemical Identifiers
| CAS Number | 76824-99-2 |
|---|---|
| SMILES | C1[C@H](NCC2=C1C=C(C=C2)O)C(=O)O |
Product Overview
(3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate (CAS 76824-99-2), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
Chemical Property Profile of (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
Property Insights of (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
The XLogP value of 0.4911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate. Following Lipinski's Rule of Five, (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate has 3 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)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate?
The CAS number of (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate is 76824-99-2.
What is the molecular formula of (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate?
The molecular formula of (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate is C10H11NO3.
What is the molecular weight of (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate?
The molecular weight of (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate is 193.07 g/mol.
Where can I buy (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate?
You can request a quote for (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.