![N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide structure](/static/products/7082/708247-79-4.webp)
N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide (CAS 708247-79-4) is a chemical compound with molecular formula C21H15FN4O3 and molecular weight 390.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: BAS 07437637, AP-970/42736392, N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide, N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide, N-[2-(4-fluorophenyl)-6-methyl-2H-benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C21H15FN4O3 |
|---|---|
| Molecular Weight | 390.11 g/mol |
| LogP | 3.84902 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.11282 |
| Heavy Atoms | 29 |
| Complexity | 1251.0088 |
Chemical Identifiers
| CAS Number | 708247-79-4 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F |
Product Overview
N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide (CAS 708247-79-4), with molecular formula C21H15FN4O3 and molecular weight 390.11 g/mol. IUPAC: N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.84902 indicates that N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-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-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide is 708247-79-4.
What is the molecular formula of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide is C21H15FN4O3.
What is the molecular weight of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide is 390.11 g/mol.
Where can I buy N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-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-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.