2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
TL;DR: 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate (CAS 489415-69-2) is a chemical compound with molecular formula C14H16N4OS and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzylamino)-2-oxoethyl] N-cyano-N'-prop-2-enylcarbamimidothioate
Also Known As: (Z)-2-(benzylamino)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate, [2-(benzylamino)-2-oxoethyl] N-cyano-N'-prop-2-enylcarbamimidothioate, 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate, 2-[(1E)-2-cyano-1-(prop-2-enylamino)-2-azavinylthio]-N-benzylacetamide
| Molecular Formula | C14H16N4OS |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 288.1045 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 489415-69-2 |
|---|---|
| SMILES | C=CCN=C(NC#N)SCC(=O)NCC1=CC=CC=C1 |
| InChIKey | OQQVHISJDABPNV-UHFFFAOYSA-N |
Product Overview
2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate (CAS 489415-69-2), with molecular formula C14H16N4OS and molecular weight 288.10 g/mol. IUPAC: [2-(benzylamino)-2-oxoethyl] N-cyano-N'-prop-2-enylcarbamimidothioate.
Chemical Property Profile of 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
Property Insights of 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate. Following Lipinski's Rule of Five, 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate has 2 hydrogen bond donor(s) and 4 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-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
The CAS number of 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate is 489415-69-2.
What is the molecular formula of 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
The molecular formula of 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate is C14H16N4OS.
What is the molecular weight of 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
The molecular weight of 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate is 288.10 g/mol.
Where can I buy 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
You can request a quote for 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.