N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide (CAS 688030-52-6) is a chemical compound with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide
Also Known As: UPCMLD0ENAT5763449:001, BRD-K06295950-001-07-0, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C18H16N4O3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 2.59922 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.12225 |
| Heavy Atoms | 25 |
| Complexity | 921.32556 |
Chemical Identifiers
| CAS Number | 688030-52-6 |
|---|---|
| SMILES | CC1=NN(N=C1C(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide (CAS 688030-52-6), with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide
The XLogP value of 2.59922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide is 688030-52-6.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide is C18H16N4O3.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide is 336.12 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.