2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid
TL;DR: 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid (CAS 64598-03-4) is a chemical compound with molecular formula C10H9N3O4 and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)butanedioic acid
Also Known As: 2-(benzotriazol-1-yl)butanedioic acid, 2-(1H-Benzotriazole-1-yl)succinic acid, 1-[(1',2'-dicarboxy)ethyl]-benzotriazole, 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid, J2.105.129B
| Molecular Formula | C10H9N3O4 |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.05931 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 64598-03-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(CC(=O)O)C(=O)O |
| InChIKey | JNXJYDMXAJDPRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid (CAS 64598-03-4), with molecular formula C10H9N3O4 and molecular weight 235.06 g/mol. IUPAC: 2-(benzotriazol-1-yl)butanedioic acid.
Chemical Property Profile of 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid
Property Insights of 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid. Following Lipinski's Rule of Five, 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid has 2 hydrogen bond donor(s) and 6 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-1,2,3-benzotriazol-1-yl)butanedioic acid?
The CAS number of 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid is 64598-03-4.
What is the molecular formula of 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid?
The molecular formula of 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid is C10H9N3O4.
What is the molecular weight of 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid?
The molecular weight of 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid is 235.06 g/mol.
Where can I buy 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid?
You can request a quote for 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,3-benzotriazol-1-yl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.