Kartox
TL;DR: Kartox (CAS 72907-72-3) is a chemical compound with molecular formula C13H22Cl7N3O2S2 and molecular weight 560.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Kartox
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;1,2,3,4,5,6-hexachlorocyclohexane;hydrochloride
Also Known As: Kartox, Kartox 50, S,S'-(2-(dimethylamino)propane-1,3-diyl) dicarbamothioate compound with (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane (1:1) hydrochloride, S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;1,2,3,4,5,6-hexachlorocyclohexane;hydrochloride, Carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester, monohydrochloride, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane
| Molecular Formula | C13H22Cl7N3O2S2 |
|---|---|
| Molecular Weight | 560.90 g/mol |
| LogP | 4.6066 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 560.89734 |
| Heavy Atoms | 27 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 72907-72-3 |
|---|---|
| SMILES | CN(C)C(CSC(=O)N)CSC(=O)N.C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl.Cl |
| InChIKey | DDNJSIOWWRSXGR-UHFFFAOYSA-N |
Product Overview
Kartox (CAS 72907-72-3), with molecular formula C13H22Cl7N3O2S2 and molecular weight 560.90 g/mol. IUPAC: S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;1,2,3,4,5,6-hexachlorocyclohexane;hydrochloride.
Chemical Property Profile of Kartox
Property Insights of Kartox
The XLogP value of 4.6066 indicates that Kartox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Kartox may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kartox has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kartox?
The CAS number of Kartox is 72907-72-3.
What is the molecular formula of Kartox?
The molecular formula of Kartox is C13H22Cl7N3O2S2.
What is the molecular weight of Kartox?
The molecular weight of Kartox is 560.90 g/mol.
Where can I buy Kartox?
You can request a quote for Kartox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kartox?
Yes, KEHONG BIO provides custom synthesis services for Kartox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.