(4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol
TL;DR: (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol (CAS 91089-29-1) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzylideneamino)-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol
Also Known As: [4-(benzylideneamino)-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol|(4-(benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol|4-(benzylideneamino)-3,5-bis(hydroxymethyl)-4h-1,2,4-triazole
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 0.1449 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 485.94492 |
Chemical Identifiers
| CAS Number | 91089-29-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NN2C(=NN=C2CO)CO |
Product Overview
(4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol (CAS 91089-29-1), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: [4-(benzylideneamino)-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol.
Chemical Property Profile of (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol
Property Insights of (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol
The XLogP value of 0.1449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol. The TPSA of 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol. Following Lipinski's Rule of Five, (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol has 2 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-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol?
The CAS number of (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol is 91089-29-1.
What is the molecular formula of (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol?
The molecular formula of (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol is C11H12N4O2.
What is the molecular weight of (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol?
The molecular weight of (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol is 232.10 g/mol.
Where can I buy (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol?
You can request a quote for (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol?
Yes, KEHONG BIO provides custom synthesis services for (4-(Benzylideneamino)-4h-1,2,4-triazole-3,5-diyl)dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.