cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate
TL;DR: cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate (CAS 866040-15-5) is a chemical compound with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)pyrrolidine-1-carboximidothioate
Also Known As: 5W-0317, cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate, cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)pyrrolidine-1-carboximidothioate, 2-[(E)-{[(cyanomethyl)sulfanyl](pyrrolidin-1-yl)methylidene}amino]-4,5-dimethoxybenzonitrile, 2-[(cyanomethylsulfanyl-pyrrolidin-1-yl-methylidene)amino]-4,5-dimethoxy-benzonitrile
| Molecular Formula | C16H18N4O2S |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.91556 |
| Topological Polar Surface Area | 81.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11505 |
| Heavy Atoms | 23 |
| Complexity | 669.8834 |
Chemical Identifiers
| CAS Number | 866040-15-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)N=C(N2CCCC2)SCC#N)OC |
Product Overview
cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate (CAS 866040-15-5), with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol. IUPAC: cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)pyrrolidine-1-carboximidothioate.
Chemical Property Profile of cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate
Property Insights of cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate
The XLogP value of 2.91556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate. The TPSA of 81.64 Ų falls within the moderate polarity range, balancing permeability and solubility for cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate. Following Lipinski's Rule of Five, cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate 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 cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate?
The CAS number of cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate is 866040-15-5.
What is the molecular formula of cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate?
The molecular formula of cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate is C16H18N4O2S.
What is the molecular weight of cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate?
The molecular weight of cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate is 330.12 g/mol.
Where can I buy cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate?
You can request a quote for cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate?
Yes, KEHONG BIO provides custom synthesis services for cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.