dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate
TL;DR: dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate (CAS 75363-80-3) is a chemical compound with molecular formula C15H7Cl6NO3 and molecular weight 458.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,8,9,10,10-hexachloro-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate, 1,7,8,9,10,10-Hexachloro-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, 4,5,6,7,8,8-Hexachloro-2-(4-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C15H7Cl6NO3 |
|---|---|
| Molecular Weight | 458.86 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.8557 |
| Heavy Atoms | 25 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 75363-80-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)O |
| InChIKey | DLDZDCYAAKJJNG-UHFFFAOYSA-N |
Product Overview
dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate (CAS 75363-80-3), with molecular formula C15H7Cl6NO3 and molecular weight 458.86 g/mol. IUPAC: 1,7,8,9,10,10-hexachloro-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate
Property Insights of dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate
The XLogP value of 3.2 indicates that dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate has 1 hydrogen bond donor(s) and 3 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 dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate?
The CAS number of dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate is 75363-80-3.
What is the molecular formula of dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate?
The molecular formula of dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate is C15H7Cl6NO3.
What is the molecular weight of dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate?
The molecular weight of dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate is 458.86 g/mol.
Where can I buy dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate?
You can request a quote for dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.