![6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde structure](/static/products/7309/730992-67-3.webp)
6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde
TL;DR: 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde (CAS 730992-67-3) is a chemical compound with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxochromene-3-carbaldehyde
Also Known As: 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde, 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}-4-oxo-4H-chromene-3-carbaldehyde, 6-Chloro-8-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-4H-1-benzopyran-3-carboxaldehyde, 6-chloro-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxochromene-3-carbaldehyde, 6-chloro-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-chromene-3-carbaldehyde
| Molecular Formula | C14H10ClN3O3S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 2.6797 |
| Topological Polar Surface Area | 77.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.01315 |
| Heavy Atoms | 22 |
| Complexity | 919.32733 |
Chemical Identifiers
| CAS Number | 730992-67-3 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=C3C(=CC(=C2)Cl)C(=O)C(=CO3)C=O |
Product Overview
6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde (CAS 730992-67-3), with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol. IUPAC: 6-chloro-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxochromene-3-carbaldehyde.
Chemical Property Profile of 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde
Property Insights of 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde
The XLogP value of 2.6797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde. The TPSA of 77.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde. Following Lipinski's Rule of Five, 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-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-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde?
The CAS number of 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde is 730992-67-3.
What is the molecular formula of 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde?
The molecular formula of 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde is C14H10ClN3O3S.
What is the molecular weight of 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde?
The molecular weight of 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde is 335.01 g/mol.
Where can I buy 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde?
You can request a quote for 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]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 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-8-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-chromene-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.