2-oxo-2H-chromen-4-yl 2-chloronicotinate
TL;DR: 2-oxo-2H-chromen-4-yl 2-chloronicotinate (CAS 444791-36-0) is a chemical compound with molecular formula C15H8ClNO4 and molecular weight 301.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-4-yl) 2-chloropyridine-3-carboxylate
Also Known As: 2-oxo-2H-chromen-4-yl 2-chloronicotinate, (2-oxochromen-4-yl) 2-chloropyridine-3-carboxylate, AI-204/31682021
| Molecular Formula | C15H8ClNO4 |
|---|---|
| Molecular Weight | 301.01 g/mol |
| LogP | 3.0606 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.0142 |
| Heavy Atoms | 21 |
| Complexity | 887.9761 |
Chemical Identifiers
| CAS Number | 444791-36-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)O2)OC(=O)C3=C(N=CC=C3)Cl |
Product Overview
2-oxo-2H-chromen-4-yl 2-chloronicotinate (CAS 444791-36-0), with molecular formula C15H8ClNO4 and molecular weight 301.01 g/mol. IUPAC: (2-oxochromen-4-yl) 2-chloropyridine-3-carboxylate.
Chemical Property Profile of 2-oxo-2H-chromen-4-yl 2-chloronicotinate
Property Insights of 2-oxo-2H-chromen-4-yl 2-chloronicotinate
The XLogP value of 3.0606 indicates that 2-oxo-2H-chromen-4-yl 2-chloronicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2H-chromen-4-yl 2-chloronicotinate. Following Lipinski's Rule of Five, 2-oxo-2H-chromen-4-yl 2-chloronicotinate 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 2-oxo-2H-chromen-4-yl 2-chloronicotinate?
The CAS number of 2-oxo-2H-chromen-4-yl 2-chloronicotinate is 444791-36-0.
What is the molecular formula of 2-oxo-2H-chromen-4-yl 2-chloronicotinate?
The molecular formula of 2-oxo-2H-chromen-4-yl 2-chloronicotinate is C15H8ClNO4.
What is the molecular weight of 2-oxo-2H-chromen-4-yl 2-chloronicotinate?
The molecular weight of 2-oxo-2H-chromen-4-yl 2-chloronicotinate is 301.01 g/mol.
Where can I buy 2-oxo-2H-chromen-4-yl 2-chloronicotinate?
You can request a quote for 2-oxo-2H-chromen-4-yl 2-chloronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2H-chromen-4-yl 2-chloronicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2H-chromen-4-yl 2-chloronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.