Cgp 11952
TL;DR: Cgp 11952 (CAS 64078-09-7) is a chemical compound with molecular formula C21H21Cl2N5O2 and molecular weight 445.11 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-[(dimethylamino)methyl]-N-ethyl-1,2,4-triazole-3-carboxamide
Also Known As: Cgp 11952, 3-(5-Pyrimidinyl)benzaldehyde, 1H-1,2,4-Triazole-3-carboxamide, 1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-5-((dimethylamino)methyl)-N-ethyl-, 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[(dimethylamino)methyl]-N-ethyl-1,2,4-triazole-3-carboxamide, 1-(4-CHLORO-2-(2-CHLOROBENZOYL)PHENYL)-5-((DIMETHYLAMINO)METHYL)-N-ETHYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE
| Molecular Formula | C21H21Cl2N5O2 |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.10724 |
| Heavy Atoms | 30 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 64078-09-7 |
|---|---|
| SMILES | CCNC(=O)C1=NN(C(=N1)CN(C)C)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl |
| InChIKey | IRQLQRRQIHFEOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cgp 11952 (CAS 64078-09-7), with molecular formula C21H21Cl2N5O2 and molecular weight 445.11 g/mol. IUPAC: 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[(dimethylamino)methyl]-N-ethyl-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of Cgp 11952
Property Insights of Cgp 11952
The XLogP value of 4.1 indicates that Cgp 11952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cgp 11952. Following Lipinski's Rule of Five, Cgp 11952 has 1 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 Cgp 11952?
The CAS number of Cgp 11952 is 64078-09-7.
What is the molecular formula of Cgp 11952?
The molecular formula of Cgp 11952 is C21H21Cl2N5O2.
What is the molecular weight of Cgp 11952?
The molecular weight of Cgp 11952 is 445.11 g/mol.
Where can I buy Cgp 11952?
You can request a quote for Cgp 11952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cgp 11952?
Yes, KEHONG BIO provides custom synthesis services for Cgp 11952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.