1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride
TL;DR: 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride (CAS 145232-63-9) is a chemical compound with molecular formula C22H27ClN4O3S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-3-nitrobenzamide;hydrochloride
Also Known As: 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride, Benzamide, 3-nitro-N-(((2-(1-(phenylmethyl)-4-piperidinyl)ethyl)amino)thioxomethyl)-, monohydrochloride, N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-3-nitrobenzamide hydrochloride, N-{[2-(1-Benzylpiperidin-4-yl)ethyl]carbamothioyl}-3-nitrobenzamide--hydrogen chloride (1/1), RefChem:321553
| Molecular Formula | C22H27ClN4O3S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 3.9232 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.14923 |
| Heavy Atoms | 31 |
| Complexity | 889.3346 |
Chemical Identifiers
| CAS Number | 145232-63-9 |
|---|---|
| SMILES | C1CN(CCC1CCNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl |
Product Overview
1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride (CAS 145232-63-9), with molecular formula C22H27ClN4O3S and molecular weight 462.15 g/mol. IUPAC: N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-3-nitrobenzamide;hydrochloride.
Chemical Property Profile of 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride
Property Insights of 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride
The XLogP value of 3.9232 indicates that 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride. Following Lipinski's Rule of Five, 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride has 2 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 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride?
The CAS number of 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride is 145232-63-9.
What is the molecular formula of 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride?
The molecular formula of 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride is C22H27ClN4O3S.
What is the molecular weight of 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride?
The molecular weight of 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride is 462.15 g/mol.
Where can I buy 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride?
You can request a quote for 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.