Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-
TL;DR: Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- (CAS 113368-00-6) is a chemical compound with molecular formula C16H15N7O3S and molecular weight 385.10 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-methoxyphenyl)thiourea
Also Known As: 3-(o-Methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thiourea, Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-, Thiourea, N-(imino((5-nitro-1H-benzimidazol-2-yl)amino)methyl)-N'-(2-methoxyphenyl)-, N-{(E)-Amino[(6-nitro-1H-1,3-benzimidazol-2-yl)amino]methylidene}-N'-(2-methoxyphenyl)thiourea, RefChem:387666
| Molecular Formula | C16H15N7O3S |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 2.6033 |
| Topological Polar Surface Area | 143.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.0957 |
| Heavy Atoms | 27 |
| Complexity | 1047.4249 |
Chemical Identifiers
| CAS Number | 113368-00-6 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=S)/N=C(\N)/NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- (CAS 113368-00-6), with molecular formula C16H15N7O3S and molecular weight 385.10 g/mol. IUPAC: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methoxyphenyl)thiourea.
Chemical Property Profile of Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-
Property Insights of Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-
The XLogP value of 2.6033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-. The TPSA of 143.49 Ų indicates high polarity, suggesting Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- has 4 hydrogen bond donor(s) and 5 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-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
The CAS number of Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- is 113368-00-6.
What is the molecular formula of Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
The molecular formula of Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- is C16H15N7O3S.
What is the molecular weight of Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
The molecular weight of Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- is 385.10 g/mol.
Where can I buy Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
You can request a quote for Urea, 3-(o-methoxyphenyl)-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-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 3-(o-methoxyphenyl)-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.