2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate
TL;DR: 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate (CAS 2422071-55-2) is a chemical compound with molecular formula C18H13ClO4 and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
Also Known As: 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate, [2-(4-chlorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
| Molecular Formula | C18H13ClO4 |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 3.5419 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.05023 |
| Heavy Atoms | 23 |
| Complexity | 777.8635 |
Chemical Identifiers
| CAS Number | 2422071-55-2 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate (CAS 2422071-55-2), with molecular formula C18H13ClO4 and molecular weight 328.05 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate
Property Insights of 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate
The XLogP value of 3.5419 indicates that 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate 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-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate?
The CAS number of 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate is 2422071-55-2.
What is the molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate?
The molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate is C18H13ClO4.
What is the molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate?
The molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate is 328.05 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate?
You can request a quote for 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-oxoethyl 2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.