Methyl 4-(3-cyanopyridin-2-yl)benzoate
TL;DR: Methyl 4-(3-cyanopyridin-2-yl)benzoate (CAS 886360-65-2) is a chemical compound with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-cyano-2-pyridinyl)benzoate
Also Known As: methyl 4-(3-cyanopyridin-2-yl)benzoate, methyl 4-(3-cyano-2-pyridinyl)benzenecarboxylate, methyl 4-(3-cyano-2-pyridyl)benzoate, methyl4-(3-cyanopyridin-2-yl)benzoate, 3X-0733
| Molecular Formula | C14H10N2O2 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.40688 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.07423 |
| Heavy Atoms | 18 |
| Complexity | 612.4363 |
Chemical Identifiers
| CAS Number | 886360-65-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=C(C=CC=N2)C#N |
Product Overview
Methyl 4-(3-cyanopyridin-2-yl)benzoate (CAS 886360-65-2), with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol. IUPAC: methyl 4-(3-cyano-2-pyridinyl)benzoate.
Chemical Property Profile of Methyl 4-(3-cyanopyridin-2-yl)benzoate
Property Insights of Methyl 4-(3-cyanopyridin-2-yl)benzoate
The XLogP value of 2.40688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-cyanopyridin-2-yl)benzoate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-cyanopyridin-2-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(3-cyanopyridin-2-yl)benzoate has 0 hydrogen bond donor(s) and 4 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 Methyl 4-(3-cyanopyridin-2-yl)benzoate?
The CAS number of Methyl 4-(3-cyanopyridin-2-yl)benzoate is 886360-65-2.
What is the molecular formula of Methyl 4-(3-cyanopyridin-2-yl)benzoate?
The molecular formula of Methyl 4-(3-cyanopyridin-2-yl)benzoate is C14H10N2O2.
What is the molecular weight of Methyl 4-(3-cyanopyridin-2-yl)benzoate?
The molecular weight of Methyl 4-(3-cyanopyridin-2-yl)benzoate is 238.07 g/mol.
Where can I buy Methyl 4-(3-cyanopyridin-2-yl)benzoate?
You can request a quote for Methyl 4-(3-cyanopyridin-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-cyanopyridin-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-cyanopyridin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.