(3-Chloro-4-oxochromen-7-yl) acetate
TL;DR: (3-Chloro-4-oxochromen-7-yl) acetate (CAS 49619-77-4) is a chemical compound with molecular formula C11H7ClO4 and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-oxochromen-7-yl) acetate
Also Known As: 7-acetoxy-3-chloro-chromen-4-one, (3-chloro-4-oxochromen-7-yl) acetate
| Molecular Formula | C11H7ClO4 |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 2.3717 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.00328 |
| Heavy Atoms | 16 |
| Complexity | 614.90094 |
Chemical Identifiers
| CAS Number | 49619-77-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)Cl |
Product Overview
(3-Chloro-4-oxochromen-7-yl) acetate (CAS 49619-77-4), with molecular formula C11H7ClO4 and molecular weight 238.00 g/mol. IUPAC: (3-chloro-4-oxochromen-7-yl) acetate.
Chemical Property Profile of (3-Chloro-4-oxochromen-7-yl) acetate
Property Insights of (3-Chloro-4-oxochromen-7-yl) acetate
The XLogP value of 2.3717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-4-oxochromen-7-yl) acetate. With a topological polar surface area (TPSA) of 56.51 Ų, (3-Chloro-4-oxochromen-7-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-4-oxochromen-7-yl) acetate 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 (3-Chloro-4-oxochromen-7-yl) acetate?
The CAS number of (3-Chloro-4-oxochromen-7-yl) acetate is 49619-77-4.
What is the molecular formula of (3-Chloro-4-oxochromen-7-yl) acetate?
The molecular formula of (3-Chloro-4-oxochromen-7-yl) acetate is C11H7ClO4.
What is the molecular weight of (3-Chloro-4-oxochromen-7-yl) acetate?
The molecular weight of (3-Chloro-4-oxochromen-7-yl) acetate is 238.00 g/mol.
Where can I buy (3-Chloro-4-oxochromen-7-yl) acetate?
You can request a quote for (3-Chloro-4-oxochromen-7-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-4-oxochromen-7-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-4-oxochromen-7-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.