5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide
TL;DR: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide (CAS 899749-90-7) is a chemical compound with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide
Also Known As: F2691-0033, 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-benzyl-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C18H17N5O3 |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 1.5673 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.13315 |
| Heavy Atoms | 26 |
| Complexity | 939.2546 |
Chemical Identifiers
| CAS Number | 899749-90-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC4=CC=CC=C4)N |
Product Overview
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide (CAS 899749-90-7), with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol. IUPAC: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide.
Chemical Property Profile of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide
Property Insights of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide
The XLogP value of 1.5673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide 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 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide?
The CAS number of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide is 899749-90-7.
What is the molecular formula of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide?
The molecular formula of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide is C18H17N5O3.
What is the molecular weight of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide?
The molecular weight of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide is 351.13 g/mol.
Where can I buy 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide?
You can request a quote for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyltriazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.