N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide (CAS 332117-02-9) is a chemical compound with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide
Also Known As: BAS 01129897, N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide, BRD-K99333401-001-01-5, N-(1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide, Benzo[1,3]dioxole-5-carboxylic acid [1,2,4]triazol-4-ylamide
| Molecular Formula | C10H8N4O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 0.3907 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.05965 |
| Heavy Atoms | 17 |
| Complexity | 552.6836 |
Chemical Identifiers
| CAS Number | 332117-02-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NN3C=NN=C3 |
Product Overview
N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide (CAS 332117-02-9), with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol. IUPAC: N-(1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 0.3907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide has 1 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 N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide is 332117-02-9.
What is the molecular formula of N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide is C10H8N4O3.
What is the molecular weight of N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide is 232.06 g/mol.
Where can I buy N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.