2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
TL;DR: 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate (CAS 445385-47-7) is a chemical compound with molecular formula C14H17FN4OS and molecular weight 308.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(tert-butylamino)-2-oxoethyl] N-cyano-N'-(3-fluorophenyl)carbamimidothioate
Also Known As: AM-807/14960472, (Z)-2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate, [2-(tert-butylamino)-2-oxoethyl] N-cyano-N'-(3-fluorophenyl)carbamimidothioate, 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate, 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)imidothiocarbamate
| Molecular Formula | C14H17FN4OS |
|---|---|
| Molecular Weight | 308.11 g/mol |
| LogP | 2.53178 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.11072 |
| Heavy Atoms | 21 |
| Complexity | 575.07214 |
Chemical Identifiers
| CAS Number | 445385-47-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC(=NC1=CC(=CC=C1)F)NC#N |
Product Overview
2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate (CAS 445385-47-7), with molecular formula C14H17FN4OS and molecular weight 308.11 g/mol. IUPAC: [2-(tert-butylamino)-2-oxoethyl] N-cyano-N'-(3-fluorophenyl)carbamimidothioate.
Chemical Property Profile of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
Property Insights of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
The XLogP value of 2.53178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate. Following Lipinski's Rule of Five, 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate 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-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate?
The CAS number of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate is 445385-47-7.
What is the molecular formula of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate?
The molecular formula of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate is C14H17FN4OS.
What is the molecular weight of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate?
The molecular weight of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate is 308.11 g/mol.
Where can I buy 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate?
You can request a quote for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.