7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde
TL;DR: 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde (CAS 69155-79-9) 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.
7-chloro-4-oxochromene-3-carbaldehyde
Also Known As: 7-Chloro-4-oxo-4H-chromene-3-carbaldehyde, 7-CHLORO-3-FORMYLCHROMONE, 7-chloro-4-oxochromene-3-carbaldehyde, 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde, 7-Chloro-3-formylchromone, AldrichCPR
| Molecular Formula | C10H5ClO3 |
|---|---|
| Molecular Weight | 207.99 g/mol |
| LogP | 1.8 |
| 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 | 298.0 |
Chemical Identifiers
| CAS Number | 69155-79-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)OC=C(C2=O)C=O |
| InChIKey | VGRJRNDUTLCELV-UHFFFAOYSA-N |
Product Overview
7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde (CAS 69155-79-9), with molecular formula C10H5ClO3 and molecular weight 207.99 g/mol. IUPAC: 7-chloro-4-oxochromene-3-carbaldehyde.
Chemical Property Profile of 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde
Property Insights of 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde. With a topological polar surface area (TPSA) of 43.4 Ų, 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde 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 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde?
The CAS number of 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde is 69155-79-9.
What is the molecular formula of 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde?
The molecular formula of 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde is C10H5ClO3.
What is the molecular weight of 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde?
The molecular weight of 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde is 207.99 g/mol.
Where can I buy 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde?
You can request a quote for 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.