4-Methyl-2-oxo-2H-chromene-7-carbaldehyde
TL;DR: 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde (CAS 53183-53-2) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-oxochromene-7-carbaldehyde
Also Known As: 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde, 4-methyl-2-oxochromene-7-carbaldehyde, Coumarine,7-formyl-4-methyl, 4-methyl-2-oxo-2 h-chromene-7-carbaldehyde, Coumarine, 7-formyl-4-methyl-
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 53183-53-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)C=O |
| InChIKey | UBTIVCZWNKMKAP-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-oxo-2H-chromene-7-carbaldehyde (CAS 53183-53-2), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 4-methyl-2-oxochromene-7-carbaldehyde.
Chemical Property Profile of 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde
Property Insights of 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde 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 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde?
The CAS number of 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde is 53183-53-2.
What is the molecular formula of 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde?
The molecular formula of 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde is C11H8O3.
What is the molecular weight of 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde?
The molecular weight of 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde is 188.05 g/mol.
Where can I buy 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde?
You can request a quote for 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.