EINECS 267-815-3
TL;DR: EINECS 267-815-3 (CAS 67935-96-0) is a chemical compound with molecular formula C21H19Cl3N4O4 and molecular weight 496.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(morpholin-4-ylmethyl)-1,2,4-triazole-3-carboxylic acid;hydrochloride
Also Known As: EINECS 267-815-3, 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(morpholinomethyl)-1h-1,2,4-triazole-3-carboxylic acid monohydrochloride, 1-(4-Chloro-2-(2-chlorobenzoyl)phenyl)-5-(morpholinomethyl)-1H-1,2,4-triazole-3-carboxylic acid monohydrochloride, 1-[2-(o-chlorobenzoyl)-4-chlorophenyl]-5-(morpholinomethyl)-1H-1,2,4- triazole-3-carboxylic acid hydrochloride, 1-[2-(o-chlorobenzoyl)-4-chlorophenyl]-5-(morpholinomethyl)-1H-1,2,4-triazole-3-carboxylic acid hydrochloride
| Molecular Formula | C21H19Cl3N4O4 |
|---|---|
| Molecular Weight | 496.05 g/mol |
| LogP | 3.7573 |
| Topological Polar Surface Area | 97.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.04718 |
| Heavy Atoms | 32 |
| Complexity | 1145.8235 |
Chemical Identifiers
| CAS Number | 67935-96-0 |
|---|---|
| SMILES | C1COCCN1CC2=NC(=NN2C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4Cl)C(=O)O.Cl |
Product Overview
EINECS 267-815-3 (CAS 67935-96-0), with molecular formula C21H19Cl3N4O4 and molecular weight 496.05 g/mol. IUPAC: 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(morpholin-4-ylmethyl)-1,2,4-triazole-3-carboxylic acid;hydrochloride.
Chemical Property Profile of EINECS 267-815-3
Property Insights of EINECS 267-815-3
The XLogP value of 3.7573 indicates that EINECS 267-815-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.55 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 267-815-3. Following Lipinski's Rule of Five, EINECS 267-815-3 has 1 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 EINECS 267-815-3?
The CAS number of EINECS 267-815-3 is 67935-96-0.
What is the molecular formula of EINECS 267-815-3?
The molecular formula of EINECS 267-815-3 is C21H19Cl3N4O4.
What is the molecular weight of EINECS 267-815-3?
The molecular weight of EINECS 267-815-3 is 496.05 g/mol.
Where can I buy EINECS 267-815-3?
You can request a quote for EINECS 267-815-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 267-815-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 267-815-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.