2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
TL;DR: 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate (CAS 445385-68-2) is a chemical compound with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(cyclopropylamino)-2-oxoethyl] N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
Also Known As: AM-807/14960900, 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)imidothiocarbamate, [2-(cyclopropylamino)-2-oxoethyl] N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate, 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate, (Z)-2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
| Molecular Formula | C15H18N4O2S |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.11505 |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 445385-68-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C(NC#N)SCC(=O)NC2CC2 |
| InChIKey | KERZAKNCUIVVGF-UHFFFAOYSA-N |
Product Overview
2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate (CAS 445385-68-2), with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol. IUPAC: [2-(cyclopropylamino)-2-oxoethyl] N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate.
Chemical Property Profile of 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
Property Insights of 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate. Following Lipinski's Rule of Five, 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate has 2 hydrogen bond donor(s) and 5 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 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
The CAS number of 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate is 445385-68-2.
What is the molecular formula of 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
The molecular formula of 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate is C15H18N4O2S.
What is the molecular weight of 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
The molecular weight of 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate is 318.12 g/mol.
Where can I buy 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
You can request a quote for 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(cyclopropylamino)-2-oxoethyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.