![3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one structure](/static/products/6945/694508-79-7.webp)
3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one
TL;DR: 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one (CAS 694508-79-7) is a chemical compound with molecular formula C18H12N4O3S and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one
Also Known As: CBKinase1_004979, CBKinase1_017379, 3-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one, BRD-K49917514-001-01-0, 3-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-2H-chromen-2-one
| Molecular Formula | C18H12N4O3S |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 2.7437 |
| Topological Polar Surface Area | 90.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.06302 |
| Heavy Atoms | 26 |
| Complexity | 1137.8574 |
Chemical Identifiers
| CAS Number | 694508-79-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one (CAS 694508-79-7), with molecular formula C18H12N4O3S and molecular weight 364.06 g/mol. IUPAC: 3-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one.
Chemical Property Profile of 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one
Property Insights of 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one
The XLogP value of 2.7437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one. The TPSA of 90.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one. Following Lipinski's Rule of Five, 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one has 0 hydrogen bond donor(s) and 7 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 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
The CAS number of 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one is 694508-79-7.
What is the molecular formula of 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
The molecular formula of 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one is C18H12N4O3S.
What is the molecular weight of 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
The molecular weight of 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one is 364.06 g/mol.
Where can I buy 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
You can request a quote for 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.