![[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate structure](/static/products/299/299461-79-3.png)
[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate
TL;DR: [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate (CAS 299461-79-3) is a chemical compound with molecular formula C13H12N2O2S2 and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide
Also Known As: [3-(4-methoxyphenyl)-3-oxoprop-1-enyl] methylcyanocarbonimidodithioate|[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate|[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl] methyl cyanocarbonimidodithioate|[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide|S-[3-(4-Methoxy-phneyl)-3-oxo-prop-1-en-1-yl]-S'-methyl cyanimidodithiocarbonate|(2E)-3-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enylthio]-3-methylthio-2-azaprop- 2-enenitrile|MFCD08461881
| Molecular Formula | C13H12N2O2S2 |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 3.32488 |
| Topological Polar Surface Area | 62.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.03403 |
| Heavy Atoms | 19 |
| Complexity | 530.56934 |
Chemical Identifiers
| CAS Number | 299461-79-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)/C=C/SC(=NC#N)SC |
Product Overview
[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate (CAS 299461-79-3), with molecular formula C13H12N2O2S2 and molecular weight 292.03 g/mol. IUPAC: [[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide.
Chemical Property Profile of [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate
Property Insights of [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate
The XLogP value of 3.32488 indicates that [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.45 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate. Following Lipinski's Rule of Five, [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate 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 [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate?
The CAS number of [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate is 299461-79-3.
What is the molecular formula of [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate?
The molecular formula of [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate is C13H12N2O2S2.
What is the molecular weight of [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate?
The molecular weight of [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate is 292.03 g/mol.
Where can I buy [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate?
You can request a quote for [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.