2-(1H-1,2,4-Triazol-1-yl)benzaldehyde
TL;DR: 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde (CAS 138479-53-5) is a chemical compound with molecular formula C9H7N3O and molecular weight 173.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-yl)benzaldehyde
Also Known As: 2-[1,2,4]Triazol-1-yl-benzaldehyde, 2-(1H-1,2,4-triazol-1-yl)benzaldehyde, 2-(1,2,4-triazol-1-yl)benzaldehyde, 2-(1H-1,2,4-triazol-1-yl)benzenecarbaldehyde, triazolylbenzenecarbaldehyde
| Molecular Formula | C9H7N3O |
|---|---|
| Molecular Weight | 173.06 g/mol |
| LogP | 1.0798 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.05891 |
| Heavy Atoms | 13 |
| Complexity | 408.55798 |
Chemical Identifiers
| CAS Number | 138479-53-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)N2C=NC=N2 |
Product Overview
2-(1H-1,2,4-Triazol-1-yl)benzaldehyde (CAS 138479-53-5), with molecular formula C9H7N3O and molecular weight 173.06 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)benzaldehyde.
Chemical Property Profile of 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde
Property Insights of 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde
The XLogP value of 1.0798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde. With a topological polar surface area (TPSA) of 47.78 Ų, 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde has 0 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 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde?
The CAS number of 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde is 138479-53-5.
What is the molecular formula of 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde?
The molecular formula of 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde is C9H7N3O.
What is the molecular weight of 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde?
The molecular weight of 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde is 173.06 g/mol.
Where can I buy 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde?
You can request a quote for 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-Triazol-1-yl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.