3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate
TL;DR: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate (CAS 64309-74-6) is a chemical compound with molecular formula C12H9ClO4 and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-methyl-2-oxochromen-7-yl) acetate
Also Known As: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate, (3-chloro-4-methyl-2-oxochromen-7-yl) acetate, 7-acetoxy-3-chloro-4-methyl-chromen-2-one, AE-848/32604026, US12016863, GRP-268365
| Molecular Formula | C12H9ClO4 |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 2.68012 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.01894 |
| Heavy Atoms | 17 |
| Complexity | 657.3386 |
Chemical Identifiers
| CAS Number | 64309-74-6 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C)Cl |
Product Overview
3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate (CAS 64309-74-6), with molecular formula C12H9ClO4 and molecular weight 252.02 g/mol. IUPAC: (3-chloro-4-methyl-2-oxochromen-7-yl) acetate.
Chemical Property Profile of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate
Property Insights of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate
The XLogP value of 2.68012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate. With a topological polar surface area (TPSA) of 56.51 Ų, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-methyl-2-oxo-2H-chromen-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-methyl-2-oxo-2H-chromen-7-yl acetate?
The CAS number of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate is 64309-74-6.
What is the molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate?
The molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate is C12H9ClO4.
What is the molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate?
The molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate is 252.02 g/mol.
Where can I buy 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate?
You can request a quote for 3-chloro-4-methyl-2-oxo-2H-chromen-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-methyl-2-oxo-2H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.