2-methyl-4-oxo-4H-chromene-3-carbaldehyde
TL;DR: 2-methyl-4-oxo-4H-chromene-3-carbaldehyde (CAS 55168-31-5) 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.
2-methyl-4-oxochromene-3-carbaldehyde
Also Known As: 2-methyl-4-oxo-4H-chromene-3-carbaldehyde, 2-methyl-4-oxochromene-3-carbaldehyde, 2-Methyl-4-oxo-4H-1-benzopyran-3-carbaldehyde, 4H-1-benzopyran-3-carboxaldehyde, 2-methyl-4-oxo-, J1.114.885I
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.6 |
| 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 | 304.0 |
Chemical Identifiers
| CAS Number | 55168-31-5 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2O1)C=O |
| InChIKey | LRUKUULSSOGMOR-UHFFFAOYSA-N |
Product Overview
2-methyl-4-oxo-4H-chromene-3-carbaldehyde (CAS 55168-31-5), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 2-methyl-4-oxochromene-3-carbaldehyde.
Chemical Property Profile of 2-methyl-4-oxo-4H-chromene-3-carbaldehyde
Property Insights of 2-methyl-4-oxo-4H-chromene-3-carbaldehyde
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-oxo-4H-chromene-3-carbaldehyde. With a topological polar surface area (TPSA) of 43.4 Ų, 2-methyl-4-oxo-4H-chromene-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-4-oxo-4H-chromene-3-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 2-methyl-4-oxo-4H-chromene-3-carbaldehyde?
The CAS number of 2-methyl-4-oxo-4H-chromene-3-carbaldehyde is 55168-31-5.
What is the molecular formula of 2-methyl-4-oxo-4H-chromene-3-carbaldehyde?
The molecular formula of 2-methyl-4-oxo-4H-chromene-3-carbaldehyde is C11H8O3.
What is the molecular weight of 2-methyl-4-oxo-4H-chromene-3-carbaldehyde?
The molecular weight of 2-methyl-4-oxo-4H-chromene-3-carbaldehyde is 188.05 g/mol.
Where can I buy 2-methyl-4-oxo-4H-chromene-3-carbaldehyde?
You can request a quote for 2-methyl-4-oxo-4H-chromene-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-oxo-4H-chromene-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-oxo-4H-chromene-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.