6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one
TL;DR: 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one (CAS 305862-91-3) is a chemical compound with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-7-ethoxy-4-methylchromen-2-one
Also Known As: IFLab1_001514, 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one, 6-Chloro-7-ethoxy-4-methyl-chromen-2-one, 6-chloro-7-ethoxy-4-methylchromen-2-one, BAS 00872276
| Molecular Formula | C12H11ClO3 |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.03967 |
| Heavy Atoms | 16 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 305862-91-3 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=CC(=O)OC2=C1)C)Cl |
| InChIKey | AHSGXZQKFAZMNW-UHFFFAOYSA-N |
Product Overview
6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one (CAS 305862-91-3), with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol. IUPAC: 6-chloro-7-ethoxy-4-methylchromen-2-one.
Chemical Property Profile of 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one
Property Insights of 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 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 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one?
The CAS number of 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one is 305862-91-3.
What is the molecular formula of 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one?
The molecular formula of 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one is C12H11ClO3.
What is the molecular weight of 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one?
The molecular weight of 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one is 238.04 g/mol.
Where can I buy 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one?
You can request a quote for 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.