Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride
TL;DR: Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride (CAS 15260-32-9) 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.
(3-nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate;hydrochloride
Also Known As: Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride, 2-(3-Nitrobenzyl)-1,3-dicyclohexyl-2-thiopseudourea hydrochloride, (3-nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate hydrochloride, Pseudourea, 1,3-dicyclohexyl-2-(m-nitrobenzyl)-2-thio-, monohydrochloride, (3-Nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate--hydrogen chloride (1/1)
| 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 | 468.0 |
Chemical Identifiers
| CAS Number | 15260-32-9 |
|---|---|
| SMILES | C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CC(=CC=C3)[N+](=O)[O-].Cl |
| InChIKey | QDTCVXIJWLNRJT-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride (CAS 15260-32-9), with molecular formula C20H30ClN3O2S and molecular weight 411.17 g/mol. IUPAC: (3-nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate;hydrochloride.
Chemical Property Profile of Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride
Property Insights of Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride
The XLogP value of 5.8608 indicates that Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, 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 Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride. Following Lipinski's Rule of Five, Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, 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 Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride?
The CAS number of Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride is 15260-32-9.
What is the molecular formula of Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride?
The molecular formula of Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride is C20H30ClN3O2S.
What is the molecular weight of Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride?
The molecular weight of Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride is 411.17 g/mol.
Where can I buy Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride?
You can request a quote for Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(3-nitrobenzyl)-1,3-dicyclohexyl-2-thio-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.