Kelthane-S
TL;DR: Kelthane-S (CAS 52869-78-0) is a chemical compound with molecular formula C19H21Cl5NO5PS and molecular weight 580.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dimethoxyphosphorylsulfanyl-N-methylacetamide;2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
Also Known As: Kelthane-S, Phosphorothioic acid, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) ester, mixt. with 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol, 2-dimethoxyphosphorylsulfanyl-N-methylacetamide;2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) phosphorothioate compound with 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethan-1-ol (1:1), [(Dimethoxyphosphoryl)sulfanyl]-N-methylethanimidic acid--2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethan-1-ol (1/1)
| Molecular Formula | C19H21Cl5NO5PS |
|---|---|
| Molecular Weight | 580.93 g/mol |
| LogP | 6.466 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 580.93207 |
| Heavy Atoms | 32 |
| Complexity | 871.7008 |
Chemical Identifiers
| CAS Number | 52869-78-0 |
|---|---|
| SMILES | CNC(=O)CSP(=O)(OC)OC.C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl |
Product Overview
Kelthane-S (CAS 52869-78-0), with molecular formula C19H21Cl5NO5PS and molecular weight 580.93 g/mol. IUPAC: 2-dimethoxyphosphorylsulfanyl-N-methylacetamide;2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol.
Chemical Property Profile of Kelthane-S
Property Insights of Kelthane-S
The XLogP value of 6.466 indicates that Kelthane-S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Kelthane-S. Following Lipinski's Rule of Five, Kelthane-S has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kelthane-S?
The CAS number of Kelthane-S is 52869-78-0.
What is the molecular formula of Kelthane-S?
The molecular formula of Kelthane-S is C19H21Cl5NO5PS.
What is the molecular weight of Kelthane-S?
The molecular weight of Kelthane-S is 580.93 g/mol.
Where can I buy Kelthane-S?
You can request a quote for Kelthane-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kelthane-S?
Yes, KEHONG BIO provides custom synthesis services for Kelthane-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.