![N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine structure](/static/products/930/93047-36-0.png)
N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine
TL;DR: N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine (CAS 93047-36-0) is a chemical compound with molecular formula C16H22Cl5NS and molecular weight 434.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine
Also Known As: 3,3'-Diethoxycarbonylmethyl-bi-rhodanyl, N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine, N-Butyl-N-{2-[(pentachlorophenyl)sulfanyl]ethyl}butan-1-amine
| Molecular Formula | C16H22Cl5NS |
|---|---|
| Molecular Weight | 434.99 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 434.99155 |
| Heavy Atoms | 23 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 93047-36-0 |
|---|---|
| SMILES | CCCCN(CCCC)CCSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | ALVVGRKPDPACTH-UHFFFAOYSA-N |
Product Overview
N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine (CAS 93047-36-0), with molecular formula C16H22Cl5NS and molecular weight 434.99 g/mol. IUPAC: N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine.
Chemical Property Profile of N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine
Property Insights of N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine
The XLogP value of 8.1 indicates that N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine?
The CAS number of N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine is 93047-36-0.
What is the molecular formula of N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine?
The molecular formula of N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine is C16H22Cl5NS.
What is the molecular weight of N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine?
The molecular weight of N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine is 434.99 g/mol.
Where can I buy N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine?
You can request a quote for N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N-[2-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]butan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.