2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate
TL;DR: 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate (CAS 295787-48-3) is a chemical compound with molecular formula C18H12ClNO6 and molecular weight 373.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethoxycarbonyl-4-oxochromen-7-yl) 2-chloropyridine-3-carboxylate
Also Known As: 2-(Chloromethyl)naphthalene, 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate, (2-ethoxycarbonyl-4-oxochromen-7-yl) 2-chloropyridine-3-carboxylate, 2- -4-OXO-4H-CHROMEN-7-YL2-CHLORONICOTINATE, 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloropyridine-3-carboxylate
| Molecular Formula | C18H12ClNO6 |
|---|---|
| Molecular Weight | 373.04 g/mol |
| LogP | 3.2373 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.0353 |
| Heavy Atoms | 26 |
| Complexity | 1058.9758 |
Chemical Identifiers
| CAS Number | 295787-48-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=C(N=CC=C3)Cl |
Product Overview
2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate (CAS 295787-48-3), with molecular formula C18H12ClNO6 and molecular weight 373.04 g/mol. IUPAC: (2-ethoxycarbonyl-4-oxochromen-7-yl) 2-chloropyridine-3-carboxylate.
Chemical Property Profile of 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate
Property Insights of 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate
The XLogP value of 3.2373 indicates that 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate. Following Lipinski's Rule of Five, 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate has 0 hydrogen bond donor(s) and 7 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-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate?
The CAS number of 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate is 295787-48-3.
What is the molecular formula of 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate?
The molecular formula of 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate is C18H12ClNO6.
What is the molecular weight of 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate?
The molecular weight of 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate is 373.04 g/mol.
Where can I buy 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate?
You can request a quote for 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-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-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(ethoxycarbonyl)-4-oxo-4H-chromen-7-yl 2-chloronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.