6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde
TL;DR: 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde (CAS 726152-47-2) is a chemical compound with molecular formula C11H6Cl2O3 and molecular weight 255.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-8-(chloromethyl)-4-oxochromene-3-carbaldehyde
Also Known As: 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde, 6-Chloro-8-chloromethyl-4-oxo-4H-chromene-3-carbaldehyde, 6-chloro-8-(chloromethyl)-4-oxochromene-3-carbaldehyde, 6-chloro-8-(chloromethyl)-4-oxo-chromene-3-carbaldehyde, 6-Chloro-8-(chloromethyl)-4-oxo-4H-1-benzopyran-3-carboxaldehyde
| Molecular Formula | C11H6Cl2O3 |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 2.9977 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.9694 |
| Heavy Atoms | 16 |
| Complexity | 616.3912 |
Chemical Identifiers
| CAS Number | 726152-47-2 |
|---|---|
| SMILES | C1=C(C=C2C(=C1CCl)OC=C(C2=O)C=O)Cl |
Product Overview
6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde (CAS 726152-47-2), with molecular formula C11H6Cl2O3 and molecular weight 255.97 g/mol. IUPAC: 6-chloro-8-(chloromethyl)-4-oxochromene-3-carbaldehyde.
Chemical Property Profile of 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde
Property Insights of 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde
The XLogP value of 2.9977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde. With a topological polar surface area (TPSA) of 47.28 Ų, 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-8-(chloromethyl)-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 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde?
The CAS number of 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde is 726152-47-2.
What is the molecular formula of 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde?
The molecular formula of 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde is C11H6Cl2O3.
What is the molecular weight of 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde?
The molecular weight of 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde is 255.97 g/mol.
Where can I buy 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde?
You can request a quote for 6-chloro-8-(chloromethyl)-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 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-8-(chloromethyl)-4-oxo-4H-chromene-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.