N-(4-ethylphenyl)azocane-1-carbothioamide
TL;DR: N-(4-ethylphenyl)azocane-1-carbothioamide (CAS 436838-70-9) is a chemical compound with molecular formula C16H24N2S and molecular weight 276.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)azocane-1-carbothioamide
Also Known As: N-(4-ethylphenyl)azocane-1-carbothioamide
| Molecular Formula | C16H24N2S |
|---|---|
| Molecular Weight | 276.17 g/mol |
| LogP | 4.2119 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.16602 |
| Heavy Atoms | 19 |
| Complexity | 391.7149 |
Chemical Identifiers
| CAS Number | 436838-70-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=S)N2CCCCCCC2 |
Product Overview
N-(4-ethylphenyl)azocane-1-carbothioamide (CAS 436838-70-9), with molecular formula C16H24N2S and molecular weight 276.17 g/mol. IUPAC: N-(4-ethylphenyl)azocane-1-carbothioamide.
Chemical Property Profile of N-(4-ethylphenyl)azocane-1-carbothioamide
Property Insights of N-(4-ethylphenyl)azocane-1-carbothioamide
The XLogP value of 4.2119 indicates that N-(4-ethylphenyl)azocane-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N-(4-ethylphenyl)azocane-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-ethylphenyl)azocane-1-carbothioamide has 1 hydrogen bond donor(s) and 1 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-(4-ethylphenyl)azocane-1-carbothioamide?
The CAS number of N-(4-ethylphenyl)azocane-1-carbothioamide is 436838-70-9.
What is the molecular formula of N-(4-ethylphenyl)azocane-1-carbothioamide?
The molecular formula of N-(4-ethylphenyl)azocane-1-carbothioamide is C16H24N2S.
What is the molecular weight of N-(4-ethylphenyl)azocane-1-carbothioamide?
The molecular weight of N-(4-ethylphenyl)azocane-1-carbothioamide is 276.17 g/mol.
Where can I buy N-(4-ethylphenyl)azocane-1-carbothioamide?
You can request a quote for N-(4-ethylphenyl)azocane-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-ethylphenyl)azocane-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethylphenyl)azocane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.