methylene]- structure](/static/products/824/824397-62-8.png)
Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-
TL;DR: Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]- (CAS 824397-62-8) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyanilino)-methylsulfanylmethylidene]propanedinitrile
Also Known As: Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-, 2-[(3,4-dimethoxyanilino)-methylsulfanylmethylidene]propanedinitrile, [(3,4-Dimethoxyanilino)(methylsulfanyl)methylidene]propanedinitrile
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 2.73746 |
| Topological Polar Surface Area | 78.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 554.23157 |
Chemical Identifiers
| CAS Number | 824397-62-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=C(C#N)C#N)SC)OC |
Product Overview
Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]- (CAS 824397-62-8), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: 2-[(3,4-dimethoxyanilino)-methylsulfanylmethylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-
Property Insights of Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-
The XLogP value of 2.73746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-. The TPSA of 78.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-. Following Lipinski's Rule of Five, Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]- has 1 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 Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-?
The CAS number of Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]- is 824397-62-8.
What is the molecular formula of Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-?
The molecular formula of Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]- is C13H13N3O2S.
What is the molecular weight of Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-?
The molecular weight of Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]- is 275.07 g/mol.
Where can I buy Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-?
You can request a quote for Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.