4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile
TL;DR: 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile (CAS 492447-33-3) is a chemical compound with molecular formula C14H7N5O and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile
Also Known As: BAS 06807670, 4-(benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile, 4-Benzotriazol-1-yl-5-hydroxy-phthalonitrile, 4-(benzotriazol-1-yl)-5-hydroxy-phthalonitrile, AH-487/42193669
| Molecular Formula | C14H7N5O |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.86946 |
| Topological Polar Surface Area | 98.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.06506 |
| Heavy Atoms | 20 |
| Complexity | 898.04877 |
Chemical Identifiers
| CAS Number | 492447-33-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)O |
Product Overview
4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile (CAS 492447-33-3), with molecular formula C14H7N5O and molecular weight 261.07 g/mol. IUPAC: 4-(benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile
Property Insights of 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile
The XLogP value of 1.86946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile. The TPSA of 98.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile 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 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile?
The CAS number of 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile is 492447-33-3.
What is the molecular formula of 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile?
The molecular formula of 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile is C14H7N5O.
What is the molecular weight of 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile?
The molecular weight of 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile is 261.07 g/mol.
Where can I buy 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile?
You can request a quote for 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzotriazol-1-yl)-5-hydroxybenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.