6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde
TL;DR: 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde (CAS 565171-11-1) is a chemical compound with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)chromene-3-carbaldehyde
Also Known As: 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde, 6-chloro-4-oxo-8-[(pyrimidin-2-ylsulfanyl)methyl]-4H-chromene-3-carbaldehyde, 6-chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)chromene-3-carbaldehyde, 6-chloro-4-oxo-8-(pyrimidin-2-ylthiomethyl)chromene-3-carbaldehyde, 6-chloro-4-oxo-8-(pyrimidin-2-ylsulfanyl)methyl-4H-chromene-3-carbaldehyde
| Molecular Formula | C15H9ClN2O3S |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 3.3412 |
| Topological Polar Surface Area | 73.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.00223 |
| Heavy Atoms | 22 |
| Complexity | 896.4233 |
Chemical Identifiers
| CAS Number | 565171-11-1 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC2=C3C(=CC(=C2)Cl)C(=O)C(=CO3)C=O |
Product Overview
6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde (CAS 565171-11-1), with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol. IUPAC: 6-chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)chromene-3-carbaldehyde.
Chemical Property Profile of 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde
Property Insights of 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde
The XLogP value of 3.3412 indicates that 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde. Following Lipinski's Rule of Five, 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde has 0 hydrogen bond donor(s) and 6 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-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde?
The CAS number of 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde is 565171-11-1.
What is the molecular formula of 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde?
The molecular formula of 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde is C15H9ClN2O3S.
What is the molecular weight of 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde?
The molecular weight of 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde is 332.00 g/mol.
Where can I buy 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde?
You can request a quote for 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-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-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)-4H-chromene-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.