F2691-0468
TL;DR: F2691-0468 (CAS 899974-06-2) is a chemical compound with molecular formula C18H16ClN5O3 and molecular weight 385.09 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-chlorophenyl)methyl]triazole-4-carboxamide
Also Known As: F2691-0468, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide, 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C18H16ClN5O3 |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 2.2207 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.09418 |
| Heavy Atoms | 27 |
| Complexity | 1004.41223 |
Chemical Identifiers
| CAS Number | 899974-06-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC4=CC=CC=C4Cl)N |
Product Overview
F2691-0468 (CAS 899974-06-2), with molecular formula C18H16ClN5O3 and molecular weight 385.09 g/mol. IUPAC: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide.
Chemical Property Profile of F2691-0468
Property Insights of F2691-0468
The XLogP value of 2.2207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2691-0468. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F2691-0468. Following Lipinski's Rule of Five, F2691-0468 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 F2691-0468?
The CAS number of F2691-0468 is 899974-06-2.
What is the molecular formula of F2691-0468?
The molecular formula of F2691-0468 is C18H16ClN5O3.
What is the molecular weight of F2691-0468?
The molecular weight of F2691-0468 is 385.09 g/mol.
Where can I buy F2691-0468?
You can request a quote for F2691-0468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2691-0468?
Yes, KEHONG BIO provides custom synthesis services for F2691-0468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.