![N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide structure](/static/products/817/817564-16-2.png)
N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide
TL;DR: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide (CAS 817564-16-2) is a chemical compound with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide
Also Known As: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide, N-{[[2-(1-cyclohexen-1-yl)ethyl](4-hydroxybutyl)amino]carbonothioyl}-3-nitrobenzamide, N-{[2-(cyclohex-1-en-1-yl)ethyl](4-hydroxybutyl)carbamothioyl}-3-nitrobenzamide
| Molecular Formula | C20H27N3O4S |
|---|---|
| Molecular Weight | 405.17 g/mol |
| LogP | 3.5745 |
| Topological Polar Surface Area | 95.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.17224 |
| Heavy Atoms | 28 |
| Complexity | 735.9159 |
Chemical Identifiers
| CAS Number | 817564-16-2 |
|---|---|
| SMILES | C1CCC(=CC1)CCN(CCCCO)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide (CAS 817564-16-2), with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide
Property Insights of N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide
The XLogP value of 3.5745 indicates that N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide 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 N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
The CAS number of N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide is 817564-16-2.
What is the molecular formula of N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
The molecular formula of N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide is C20H27N3O4S.
What is the molecular weight of N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
The molecular weight of N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide is 405.17 g/mol.
Where can I buy N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
You can request a quote for N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.