Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-
TL;DR: Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl- (CAS 113367-99-0) 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-(2-methylphenyl)thiourea
Also Known As: 1-((5-Nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolylurea, Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-, Thiourea, N-(imino((5-nitro-1H-benzimidazol-2-yl)amino)methyl)-N'-(2-methylphenyl)-, N-{(E)-Amino[(6-nitro-1H-1,3-benzimidazol-2-yl)amino]methylidene}-N'-(2-methylphenyl)thiourea, RefChem:387228
| Molecular Formula | C16H15N7O2S |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 2.90312 |
| Topological Polar Surface Area | 134.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.1008 |
| Heavy Atoms | 26 |
| Complexity | 1028.3651 |
Chemical Identifiers
| CAS Number | 113367-99-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)/N=C(\N)/NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl- (CAS 113367-99-0), with molecular formula C16H15N7O2S and molecular weight 369.10 g/mol. IUPAC: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea.
Chemical Property Profile of Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-
Property Insights of Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-
The XLogP value of 2.90312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-. The TPSA of 134.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-. Following Lipinski's Rule of Five, Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl- 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, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-?
The CAS number of Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl- is 113367-99-0.
What is the molecular formula of Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-?
The molecular formula of Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl- is C16H15N7O2S.
What is the molecular weight of Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-?
The molecular weight of Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl- is 369.10 g/mol.
Where can I buy Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-?
You can request a quote for Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.