1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea
TL;DR: 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea (CAS 729588-18-5) is a chemical compound with molecular formula C15H12FN3O2S and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-cyanoethyl-(2-fluorophenyl)carbamothioyl]furan-2-carboxamide
Also Known As: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea, N-[2-cyanoethyl-(2-fluorophenyl)carbamothioyl]furan-2-carboxamide
| Molecular Formula | C15H12FN3O2S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 2.85368 |
| Topological Polar Surface Area | 69.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.06342 |
| Heavy Atoms | 22 |
| Complexity | 709.8277 |
Chemical Identifiers
| CAS Number | 729588-18-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N(CCC#N)C(=S)NC(=O)C2=CC=CO2)F |
Product Overview
1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea (CAS 729588-18-5), with molecular formula C15H12FN3O2S and molecular weight 317.06 g/mol. IUPAC: N-[2-cyanoethyl-(2-fluorophenyl)carbamothioyl]furan-2-carboxamide.
Chemical Property Profile of 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea
Property Insights of 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea
The XLogP value of 2.85368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea. The TPSA of 69.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea. Following Lipinski's Rule of Five, 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea has 1 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 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea?
The CAS number of 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea is 729588-18-5.
What is the molecular formula of 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea?
The molecular formula of 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea is C15H12FN3O2S.
What is the molecular weight of 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea?
The molecular weight of 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea is 317.06 g/mol.
Where can I buy 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea?
You can request a quote for 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanoethyl)-1-(2-fluorophenyl)-3-(furan-2-carbonyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.