Nicotinic acid phenylcarbamoylmethyl ester
TL;DR: Nicotinic acid phenylcarbamoylmethyl ester (CAS 675864-80-9) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-anilino-2-oxoethyl) pyridine-3-carboxylate
Also Known As: 2-anilino-2-oxoethylnicotinate, Nicotinic acid phenylcarbamoylmethyl ester, (2-anilino-2-oxoethyl) pyridine-3-carboxylate, BAS 07226726, 2-oxo-2-(phenylamino)ethyl pyridine-3-carboxylate
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.8771 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 555.41846 |
Chemical Identifiers
| CAS Number | 675864-80-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=CC=C2 |
Product Overview
Nicotinic acid phenylcarbamoylmethyl ester (CAS 675864-80-9), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: (2-anilino-2-oxoethyl) pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid phenylcarbamoylmethyl ester
Property Insights of Nicotinic acid phenylcarbamoylmethyl ester
The XLogP value of 1.8771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid phenylcarbamoylmethyl ester. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid phenylcarbamoylmethyl ester. Following Lipinski's Rule of Five, Nicotinic acid phenylcarbamoylmethyl ester has 1 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 Nicotinic acid phenylcarbamoylmethyl ester?
The CAS number of Nicotinic acid phenylcarbamoylmethyl ester is 675864-80-9.
What is the molecular formula of Nicotinic acid phenylcarbamoylmethyl ester?
The molecular formula of Nicotinic acid phenylcarbamoylmethyl ester is C14H12N2O3.
What is the molecular weight of Nicotinic acid phenylcarbamoylmethyl ester?
The molecular weight of Nicotinic acid phenylcarbamoylmethyl ester is 256.08 g/mol.
Where can I buy Nicotinic acid phenylcarbamoylmethyl ester?
You can request a quote for Nicotinic acid phenylcarbamoylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid phenylcarbamoylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid phenylcarbamoylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.