4-Chloro-3-formylcoumarin
TL;DR: 4-Chloro-3-formylcoumarin (CAS 5069-95-4) is a chemical compound with molecular formula C10H5ClO3 and molecular weight 207.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-oxochromene-3-carbaldehyde
Also Known As: 4-chloro-2-oxo-2h-chromene-3-carbaldehyde, 4-Chloro-3-formylcoumarin, 4-chloro-2-oxochromene-3-carbaldehyde, chlorooxochromenecarbaldehyde, 4-chlorocoumarin-3-carboxaldehyde
| Molecular Formula | C10H5ClO3 |
|---|---|
| Molecular Weight | 207.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.99272 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 5069-95-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)C=O)Cl |
| InChIKey | CLLLQUGVEQADNN-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-formylcoumarin (CAS 5069-95-4), with molecular formula C10H5ClO3 and molecular weight 207.99 g/mol. IUPAC: 4-chloro-2-oxochromene-3-carbaldehyde.
Chemical Property Profile of 4-Chloro-3-formylcoumarin
Property Insights of 4-Chloro-3-formylcoumarin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-formylcoumarin. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Chloro-3-formylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-formylcoumarin 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-Chloro-3-formylcoumarin?
The CAS number of 4-Chloro-3-formylcoumarin is 5069-95-4.
What is the molecular formula of 4-Chloro-3-formylcoumarin?
The molecular formula of 4-Chloro-3-formylcoumarin is C10H5ClO3.
What is the molecular weight of 4-Chloro-3-formylcoumarin?
The molecular weight of 4-Chloro-3-formylcoumarin is 207.99 g/mol.
Where can I buy 4-Chloro-3-formylcoumarin?
You can request a quote for 4-Chloro-3-formylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-formylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-formylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.