2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile
TL;DR: 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile (CAS 478064-84-5) is a chemical compound with molecular formula C22H14ClN3OS and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile
Also Known As: 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile, 6R-0806, 2-(4-chlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-1,1-cyclopropanedicarbonitrile
| Molecular Formula | C22H14ClN3OS |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 5.40178 |
| Topological Polar Surface Area | 77.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0546 |
| Heavy Atoms | 28 |
| Complexity | 1125.2653 |
Chemical Identifiers
| CAS Number | 478064-84-5 |
|---|---|
| SMILES | CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)C3C(C3(C#N)C#N)C4=CC=C(C=C4)Cl |
Product Overview
2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile (CAS 478064-84-5), with molecular formula C22H14ClN3OS and molecular weight 403.05 g/mol. IUPAC: 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile.
Chemical Property Profile of 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile
Property Insights of 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile
The XLogP value of 5.40178 indicates that 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile?
The CAS number of 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile is 478064-84-5.
What is the molecular formula of 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile?
The molecular formula of 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile is C22H14ClN3OS.
What is the molecular weight of 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile?
The molecular weight of 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile is 403.05 g/mol.
Where can I buy 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile?
You can request a quote for 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)cyclopropane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.