F2691-0838
TL;DR: F2691-0838 (CAS 899738-10-4) is a chemical compound with molecular formula C19H19N5O3 and molecular weight 365.15 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-[(2-methylphenyl)methyl]triazole-4-carboxamide
Also Known As: F2691-0838, 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide, 5-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(2-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C19H19N5O3 |
|---|---|
| Molecular Weight | 365.15 g/mol |
| LogP | 1.87572 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1488 |
| Heavy Atoms | 27 |
| Complexity | 998.76025 |
Chemical Identifiers
| CAS Number | 899738-10-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N |
Product Overview
F2691-0838 (CAS 899738-10-4), with molecular formula C19H19N5O3 and molecular weight 365.15 g/mol. IUPAC: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.
Chemical Property Profile of F2691-0838
Property Insights of F2691-0838
The XLogP value of 1.87572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2691-0838. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F2691-0838. Following Lipinski's Rule of Five, F2691-0838 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 F2691-0838?
The CAS number of F2691-0838 is 899738-10-4.
What is the molecular formula of F2691-0838?
The molecular formula of F2691-0838 is C19H19N5O3.
What is the molecular weight of F2691-0838?
The molecular weight of F2691-0838 is 365.15 g/mol.
Where can I buy F2691-0838?
You can request a quote for F2691-0838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2691-0838?
Yes, KEHONG BIO provides custom synthesis services for F2691-0838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.