Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-
TL;DR: Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- (CAS 113367-98-9) is a chemical compound with molecular formula C16H15N7O2S and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-benzylthiourea
Also Known As: 3-Benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thiourea, Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-, Thiourea, N-(imino((5-nitro-1H-benzimidazol-2-yl)amino)methyl)-N'-(phenylmethyl)-, 1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-benzylthiourea, Thiourea,N-[imino[(5-nitro-1H-benzimidazol-2-yl)amino]methyl]-N'-(phenylmethyl)-(9CI)
| Molecular Formula | C16H15N7O2S |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 2.2724 |
| Topological Polar Surface Area | 134.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1008 |
| Heavy Atoms | 26 |
| Complexity | 984.68677 |
Chemical Identifiers
| CAS Number | 113367-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)/N=C(\N)/NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- (CAS 113367-98-9), with molecular formula C16H15N7O2S and molecular weight 369.10 g/mol. IUPAC: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-benzylthiourea.
Chemical Property Profile of Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-
Property Insights of Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-
The XLogP value of 2.2724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-. The TPSA of 134.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-. Following Lipinski's Rule of Five, Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- has 4 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 Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
The CAS number of Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- is 113367-98-9.
What is the molecular formula of Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
The molecular formula of Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- is C16H15N7O2S.
What is the molecular weight of Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
The molecular weight of Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- is 369.10 g/mol.
Where can I buy Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
You can request a quote for Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.