3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol
TL;DR: 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol (CAS 108429-51-2) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-4,5-dihydrotriazol-4-ol
Also Known As: 3-(3-methoxyphenyl)-4,5-dihydrotriazol-4-ol, 1-(3-methoxyphenyl)-4,5-dihydro-1H-1,2,3-triazol-5-ol, 1-(m-methoxyphenyl)-4,5-dihydro-5-hydroxy-1H-1,2,3-triazole
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 108429-51-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(CN=N2)O |
| InChIKey | AAOAJCQJETVBRU-UHFFFAOYSA-N |
Product Overview
3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol (CAS 108429-51-2), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: 3-(3-methoxyphenyl)-4,5-dihydrotriazol-4-ol.
Chemical Property Profile of 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol
Property Insights of 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol. With a topological polar surface area (TPSA) of 57.4 Ų, 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol has 1 hydrogen bond donor(s) and 5 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 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol?
The CAS number of 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol is 108429-51-2.
What is the molecular formula of 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol?
The molecular formula of 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol is C9H11N3O2.
What is the molecular weight of 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol?
The molecular weight of 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol is 193.09 g/mol.
Where can I buy 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol?
You can request a quote for 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methoxyphenyl)-4,5-dihydrotriazol-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.