2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde
TL;DR: 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde (CAS 37142-34-0) 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-phenyltriazole-4-carbaldehyde
Also Known As: 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde, 2-phenyltriazole-4-carbaldehyde, 4-FORMYL-2-PHENYL-1,2,3-TRIAZOLE, 2-Phenyl-2H-[1,2,3]triazole-4-carbaldehyde, 2-Phenyl-1,2,3-triazole-4-aldehyde
| Molecular Formula | C9H7N3O |
|---|---|
| Molecular Weight | 173.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.05891 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 37142-34-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=CC(=N2)C=O |
| InChIKey | VZJJIEBMUWCKJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde (CAS 37142-34-0), with molecular formula C9H7N3O and molecular weight 173.06 g/mol. IUPAC: 2-phenyltriazole-4-carbaldehyde.
Chemical Property Profile of 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde
Property Insights of 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 47.8 Ų, 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde 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-Phenyl-2H-1,2,3-triazole-4-carbaldehyde?
The CAS number of 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde is 37142-34-0.
What is the molecular formula of 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde?
The molecular formula of 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde is C9H7N3O.
What is the molecular weight of 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde?
The molecular weight of 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde is 173.06 g/mol.
Where can I buy 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde?
You can request a quote for 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.