AO-476/41144899
TL;DR: AO-476/41144899 (CAS 499140-84-0) is a chemical compound with molecular formula C19H18ClN5O3 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2-chlorophenyl)methyl]-5-(phenylcarbamoylamino)triazole-4-carboxylate
Also Known As: AO-476/41144899, ethyl 5-[(anilinocarbonyl)amino]-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-[(2-chlorophenyl)methyl]-5-(phenylcarbamoylamino)triazole-4-carboxylate
| Molecular Formula | C19H18ClN5O3 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.8005 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1098 |
| Heavy Atoms | 28 |
| Complexity | 974.71027 |
Chemical Identifiers
| CAS Number | 499140-84-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2Cl)NC(=O)NC3=CC=CC=C3 |
Product Overview
AO-476/41144899 (CAS 499140-84-0), with molecular formula C19H18ClN5O3 and molecular weight 399.11 g/mol. IUPAC: ethyl 1-[(2-chlorophenyl)methyl]-5-(phenylcarbamoylamino)triazole-4-carboxylate.
Chemical Property Profile of AO-476/41144899
Property Insights of AO-476/41144899
The XLogP value of 3.8005 indicates that AO-476/41144899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-476/41144899. Following Lipinski's Rule of Five, AO-476/41144899 has 2 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 AO-476/41144899?
The CAS number of AO-476/41144899 is 499140-84-0.
What is the molecular formula of AO-476/41144899?
The molecular formula of AO-476/41144899 is C19H18ClN5O3.
What is the molecular weight of AO-476/41144899?
The molecular weight of AO-476/41144899 is 399.11 g/mol.
Where can I buy AO-476/41144899?
You can request a quote for AO-476/41144899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-476/41144899?
Yes, KEHONG BIO provides custom synthesis services for AO-476/41144899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.