3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate
TL;DR: 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate (CAS 862126-84-9) is a chemical compound with molecular formula C23H15ClO4 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-2-oxochromen-4-yl) 3-chlorobenzoate
Also Known As: 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate, (3-benzyl-2-oxochromen-4-yl) 3-chlorobenzoate
| Molecular Formula | C23H15ClO4 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 5.2564 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.0659 |
| Heavy Atoms | 28 |
| Complexity | 1212.1879 |
Chemical Identifiers
| CAS Number | 862126-84-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)OC(=O)C4=CC(=CC=C4)Cl |
Product Overview
3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate (CAS 862126-84-9), with molecular formula C23H15ClO4 and molecular weight 390.07 g/mol. IUPAC: (3-benzyl-2-oxochromen-4-yl) 3-chlorobenzoate.
Chemical Property Profile of 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate
Property Insights of 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate
The XLogP value of 5.2564 indicates that 3-benzyl-2-oxo-2H-chromen-4-yl 3-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, 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate?
The CAS number of 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate is 862126-84-9.
What is the molecular formula of 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate?
The molecular formula of 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate is C23H15ClO4.
What is the molecular weight of 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate?
The molecular weight of 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate is 390.07 g/mol.
Where can I buy 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate?
You can request a quote for 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-oxo-2H-chromen-4-yl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.