2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid
TL;DR: 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid (CAS 62848-47-9) is a chemical compound with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenyltriazol-1-yl)acetic acid
Also Known As: 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid, (4-PHENYL-[1,2,3]TRIAZOL-1-YL)-ACETIC ACID, 2-(4-phenyltriazol-1-yl)acetic Acid, 4-Phenyl-1H-1,2,3-triazole-1-acetic acid, (4-phenyl-1,2,3-triazol-1-yl)acetic acid
| Molecular Formula | C10H9N3O2 |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.06947 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 62848-47-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN(N=N2)CC(=O)O |
| InChIKey | SRXSKSFFMPPQEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid (CAS 62848-47-9), with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol. IUPAC: 2-(4-phenyltriazol-1-yl)acetic acid.
Chemical Property Profile of 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid
Property Insights of 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid. Following Lipinski's Rule of Five, 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid has 1 hydrogen bond donor(s) and 4 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-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid?
The CAS number of 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid is 62848-47-9.
What is the molecular formula of 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid?
The molecular formula of 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid is C10H9N3O2.
What is the molecular weight of 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid?
The molecular weight of 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid is 203.07 g/mol.
Where can I buy 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid?
You can request a quote for 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.