(S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol
TL;DR: (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol (CAS 853-31-6) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-2-(3-hydroxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol
Also Known As: KST-1A8574, (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol, (,2,4)triazolo(5,1-a)isoquinolin-6-ol, 5,6-dihydro-2-(3-hydroxyphenyl)-, (s)-, (1,2,4)Triazolo(5,1-a)isoquinolin-6-ol, 5,6-dihydro-2-(3-hydroxyphenyl)-, (S)-, 5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol,(s)
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 853-31-6 |
|---|---|
| SMILES | C1[C@H](C2=CC=CC=C2C3=NC(=NN31)C4=CC(=CC=C4)O)O |
| InChIKey | UMXKONAAJGLKLZ-CQSZACIVSA-N |
Product Overview
(S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol (CAS 853-31-6), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: (6S)-2-(3-hydroxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol.
Chemical Property Profile of (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol
Property Insights of (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol. Following Lipinski's Rule of Five, (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol 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 (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol?
The CAS number of (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol is 853-31-6.
What is the molecular formula of (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol?
The molecular formula of (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol is C16H13N3O2.
What is the molecular weight of (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol?
The molecular weight of (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol is 279.10 g/mol.
Where can I buy (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol?
You can request a quote for (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol?
Yes, KEHONG BIO provides custom synthesis services for (S)-5,6-Dihydro-2-(3-hydroxyphenyl)-(1,2,4)triazolo(5,1-a)isoquinolin-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.