2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride
TL;DR: 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride (CAS 15314-72-4) is a chemical compound with molecular formula C20H30ClN3O2S and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate;hydrochloride
Also Known As: 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride, Pseudourea, 2-(4-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride, (4-Nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate--hydrogen chloride (1/1), (4-nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate hydrochloride, Pseudourea, 1,3-dicyclohexyl-2-(p-nitrobenzyl)-2-thio-, monohydrochloride
| Molecular Formula | C20H30ClN3O2S |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 5.8608 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1747 |
| Heavy Atoms | 27 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 15314-72-4 |
|---|---|
| SMILES | C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CC=C(C=C3)[N+](=O)[O-].Cl |
| InChIKey | MOACAMDJBOJSGN-UHFFFAOYSA-N |
Product Overview
2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride (CAS 15314-72-4), with molecular formula C20H30ClN3O2S and molecular weight 411.17 g/mol. IUPAC: (4-nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate;hydrochloride.
Chemical Property Profile of 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride
Property Insights of 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride
The XLogP value of 5.8608 indicates that 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride. Following Lipinski's Rule of Five, 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride?
The CAS number of 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride is 15314-72-4.
What is the molecular formula of 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride?
The molecular formula of 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride is C20H30ClN3O2S.
What is the molecular weight of 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride?
The molecular weight of 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride is 411.17 g/mol.
Where can I buy 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride?
You can request a quote for 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.