2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate
TL;DR: 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate (CAS 522659-53-6) is a chemical compound with molecular formula C21H21ClN2OS3 and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 2-methylpiperidine-1-carbodithioate
Also Known As: 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate, [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 2-methylpiperidine-1-carbodithioate, 1-(2-chlorophenothiazin-10-yl)-2-(2-methylpiperidine-1-carbothioyl)sulfanyl-ethanone, 1-(2-chlorophenothiazin-10-yl)-2-[(2-methylpiperidyl)thioxomethylthio]ethan-1- one
| Molecular Formula | C21H21ClN2OS3 |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 6.3618 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.05045 |
| Heavy Atoms | 28 |
| Complexity | 920.27374 |
Chemical Identifiers
| CAS Number | 522659-53-6 |
|---|---|
| SMILES | CC1CCCCN1C(=S)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
Product Overview
2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate (CAS 522659-53-6), with molecular formula C21H21ClN2OS3 and molecular weight 448.05 g/mol. IUPAC: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 2-methylpiperidine-1-carbodithioate.
Chemical Property Profile of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate
Property Insights of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate
The XLogP value of 6.3618 indicates that 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate?
The CAS number of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate is 522659-53-6.
What is the molecular formula of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate?
The molecular formula of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate is C21H21ClN2OS3.
What is the molecular weight of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate?
The molecular weight of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate is 448.05 g/mol.
Where can I buy 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate?
You can request a quote for 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl 2-methylpiperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.