(2-Oxochromen-4-yl) 4-chlorobenzoate
TL;DR: (2-Oxochromen-4-yl) 4-chlorobenzoate (CAS 16709-66-3) is a chemical compound with molecular formula C16H9ClO4 and molecular weight 300.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-4-yl) 4-chlorobenzoate
Also Known As: (2-oxochromen-4-yl) 4-chlorobenzoate, 2-oxo-2H-chromen-4-yl 4-chlorobenzoate, AI-981/36563021
| Molecular Formula | C16H9ClO4 |
|---|---|
| Molecular Weight | 300.02 g/mol |
| LogP | 3.6656 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.01895 |
| Heavy Atoms | 21 |
| Complexity | 865.3294 |
Chemical Identifiers
| CAS Number | 16709-66-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)O2)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
(2-Oxochromen-4-yl) 4-chlorobenzoate (CAS 16709-66-3), with molecular formula C16H9ClO4 and molecular weight 300.02 g/mol. IUPAC: (2-oxochromen-4-yl) 4-chlorobenzoate.
Chemical Property Profile of (2-Oxochromen-4-yl) 4-chlorobenzoate
Property Insights of (2-Oxochromen-4-yl) 4-chlorobenzoate
The XLogP value of 3.6656 indicates that (2-Oxochromen-4-yl) 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, (2-Oxochromen-4-yl) 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Oxochromen-4-yl) 4-chlorobenzoate 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 (2-Oxochromen-4-yl) 4-chlorobenzoate?
The CAS number of (2-Oxochromen-4-yl) 4-chlorobenzoate is 16709-66-3.
What is the molecular formula of (2-Oxochromen-4-yl) 4-chlorobenzoate?
The molecular formula of (2-Oxochromen-4-yl) 4-chlorobenzoate is C16H9ClO4.
What is the molecular weight of (2-Oxochromen-4-yl) 4-chlorobenzoate?
The molecular weight of (2-Oxochromen-4-yl) 4-chlorobenzoate is 300.02 g/mol.
Where can I buy (2-Oxochromen-4-yl) 4-chlorobenzoate?
You can request a quote for (2-Oxochromen-4-yl) 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxochromen-4-yl) 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxochromen-4-yl) 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.