4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate
TL;DR: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate (CAS 670244-65-2) is a chemical compound with molecular formula C21H19ClO5 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-6-chloro-2-oxochromen-7-yl) 4-methoxybenzoate
Also Known As: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate, (4-butyl-6-chloro-2-oxochromen-7-yl) 4-methoxybenzoate
| Molecular Formula | C21H19ClO5 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 5.0168 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.0921 |
| Heavy Atoms | 27 |
| Complexity | 1021.1617 |
Chemical Identifiers
| CAS Number | 670244-65-2 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3=CC=C(C=C3)OC |
Product Overview
4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate (CAS 670244-65-2), with molecular formula C21H19ClO5 and molecular weight 386.09 g/mol. IUPAC: (4-butyl-6-chloro-2-oxochromen-7-yl) 4-methoxybenzoate.
Chemical Property Profile of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate
Property Insights of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate
The XLogP value of 5.0168 indicates that 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate. Following Lipinski's Rule of Five, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate?
The CAS number of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate is 670244-65-2.
What is the molecular formula of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate?
The molecular formula of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate is C21H19ClO5.
What is the molecular weight of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate?
The molecular weight of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate is 386.09 g/mol.
Where can I buy 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate?
You can request a quote for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.