5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate
TL;DR: 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate (CAS 400085-50-9) is a chemical compound with molecular formula C19H10Cl2N2O2 and molecular weight 368.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-chlorophenyl)-3-cyano-2-pyridinyl] 4-chlorobenzoate
Also Known As: 6J-591S, [5-(4-chlorophenyl)-3-cyanopyridin-2-yl] 4-chlorobenzoate, 5-(4-chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate, 5-(4-chlorophenyl)-3-cyanopyridin-2-yl 4-chlorobenzoate, [5-(4-chlorophenyl)-3-cyano-pyridin-2-yl] 4-chlorobenzoate
| Molecular Formula | C19H10Cl2N2O2 |
|---|---|
| Molecular Weight | 368.01 g/mol |
| LogP | 5.14628 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.01193 |
| Heavy Atoms | 25 |
| Complexity | 962.2094 |
Chemical Identifiers
| CAS Number | 400085-50-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=C(N=C2)OC(=O)C3=CC=C(C=C3)Cl)C#N)Cl |
Product Overview
5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate (CAS 400085-50-9), with molecular formula C19H10Cl2N2O2 and molecular weight 368.01 g/mol. IUPAC: [5-(4-chlorophenyl)-3-cyano-2-pyridinyl] 4-chlorobenzoate.
Chemical Property Profile of 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate
Property Insights of 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate
The XLogP value of 5.14628 indicates that 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate?
The CAS number of 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate is 400085-50-9.
What is the molecular formula of 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate?
The molecular formula of 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate is C19H10Cl2N2O2.
What is the molecular weight of 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate?
The molecular weight of 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate is 368.01 g/mol.
Where can I buy 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate?
You can request a quote for 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-3-cyano-2-pyridinyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.