Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-
TL;DR: Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)- (CAS 373612-51-2) is a chemical compound with molecular formula C15H11FN4OS and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-benzimidazol-2-yl N'-(4-fluorobenzoyl)carbamimidothioate
Also Known As: 1H-benzimidazol-2-yl N'-(4-fluorobenzoyl)carbamimidothioate, Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-, (E)-1H-benzo[d]imidazol-2-yl N'-(4-fluorobenzoyl)carbamimidothioate, 1H-benzimidazol-2-yl N'-[(4-fluorophenyl)carbonyl]carbamimidothioate
| Molecular Formula | C15H11FN4OS |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 2.9492 |
| Topological Polar Surface Area | 84.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.06375 |
| Heavy Atoms | 22 |
| Complexity | 824.36475 |
Chemical Identifiers
| CAS Number | 373612-51-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SC(=NC(=O)C3=CC=C(C=C3)F)N |
Product Overview
Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)- (CAS 373612-51-2), with molecular formula C15H11FN4OS and molecular weight 314.06 g/mol. IUPAC: 1H-benzimidazol-2-yl N'-(4-fluorobenzoyl)carbamimidothioate.
Chemical Property Profile of Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-
Property Insights of Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-
The XLogP value of 2.9492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-. The TPSA of 84.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-. Following Lipinski's Rule of Five, Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)- has 2 hydrogen bond donor(s) and 3 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 Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-?
The CAS number of Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)- is 373612-51-2.
What is the molecular formula of Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-?
The molecular formula of Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)- is C15H11FN4OS.
What is the molecular weight of Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-?
The molecular weight of Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)- is 314.06 g/mol.
Where can I buy Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-?
You can request a quote for Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isothiourea, 2-(1H-benzoimidazol-2-yl)-1-(4-fluorobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.