4-(Methoxycarbonyl)phenyl nicotinate
TL;DR: 4-(Methoxycarbonyl)phenyl nicotinate (CAS 3468-33-5) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxycarbonylphenyl) pyridine-3-carboxylate
Also Known As: 4-(methoxycarbonyl)phenyl nicotinate, 4-(methoxycarbonyl)phenyl pyridine-3-carboxylate, (4-methoxycarbonylphenyl) pyridine-3-carboxylate
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.0874 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 578.1548 |
Chemical Identifiers
| CAS Number | 3468-33-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 |
Product Overview
4-(Methoxycarbonyl)phenyl nicotinate (CAS 3468-33-5), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (4-methoxycarbonylphenyl) pyridine-3-carboxylate.
Chemical Property Profile of 4-(Methoxycarbonyl)phenyl nicotinate
Property Insights of 4-(Methoxycarbonyl)phenyl nicotinate
The XLogP value of 2.0874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methoxycarbonyl)phenyl nicotinate. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxycarbonyl)phenyl nicotinate. Following Lipinski's Rule of Five, 4-(Methoxycarbonyl)phenyl nicotinate has 0 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 4-(Methoxycarbonyl)phenyl nicotinate?
The CAS number of 4-(Methoxycarbonyl)phenyl nicotinate is 3468-33-5.
What is the molecular formula of 4-(Methoxycarbonyl)phenyl nicotinate?
The molecular formula of 4-(Methoxycarbonyl)phenyl nicotinate is C14H11NO4.
What is the molecular weight of 4-(Methoxycarbonyl)phenyl nicotinate?
The molecular weight of 4-(Methoxycarbonyl)phenyl nicotinate is 257.07 g/mol.
Where can I buy 4-(Methoxycarbonyl)phenyl nicotinate?
You can request a quote for 4-(Methoxycarbonyl)phenyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methoxycarbonyl)phenyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxycarbonyl)phenyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.