Hercules 1986
TL;DR: Hercules 1986 (CAS 63716-53-0) is a chemical compound with molecular formula C9H16Cl3O3PS2 and molecular weight 371.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-sulfanylidene-(2,3,3-trichlorooxan-2-yl)sulfanyl-λ5-phosphane
Also Known As: Hercules 1986, ENT 23,980, Trichlorotetrahydropyranthiol S-(O,O-diethyl phosphorodithioate), Phosphorodithioic acid, O,O-diethyl ester, S-ester with s-trichlorotetrahydropyranthiol, diethoxy-sulfanylidene-(2,3,3-trichlorooxan-2-yl)sulfanyl-
| Molecular Formula | C9H16Cl3O3PS2 |
|---|---|
| Molecular Weight | 371.93 g/mol |
| LogP | 4.894 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.93442 |
| Heavy Atoms | 18 |
| Complexity | 322.17972 |
Chemical Identifiers
| CAS Number | 63716-53-0 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC1(C(CCCO1)(Cl)Cl)Cl |
Product Overview
Hercules 1986 (CAS 63716-53-0), with molecular formula C9H16Cl3O3PS2 and molecular weight 371.93 g/mol. IUPAC: diethoxy-sulfanylidene-(2,3,3-trichlorooxan-2-yl)sulfanyl-λ5-phosphane.
Chemical Property Profile of Hercules 1986
Property Insights of Hercules 1986
The XLogP value of 4.894 indicates that Hercules 1986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, Hercules 1986 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hercules 1986 has 0 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 Hercules 1986?
The CAS number of Hercules 1986 is 63716-53-0.
What is the molecular formula of Hercules 1986?
The molecular formula of Hercules 1986 is C9H16Cl3O3PS2.
What is the molecular weight of Hercules 1986?
The molecular weight of Hercules 1986 is 371.93 g/mol.
Where can I buy Hercules 1986?
You can request a quote for Hercules 1986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hercules 1986?
Yes, KEHONG BIO provides custom synthesis services for Hercules 1986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.