2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride
TL;DR: 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride (CAS 114396-65-5) is a chemical compound with molecular formula C19H22Cl2N2OS and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenothiazin-10-yl)-3-(diethylamino)propan-1-one;hydrochloride
Also Known As: Chloracizine HCl, Chloracyzine hydrochloride, Chloracizine chloride, Chloracizine hydrochloride, Chloracyzin hydrochloride
| Molecular Formula | C19H22Cl2N2OS |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 5.623 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.08298 |
| Heavy Atoms | 25 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 114396-65-5 |
|---|---|
| SMILES | CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl |
| InChIKey | QELDTSNVBZMBTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride (CAS 114396-65-5), with molecular formula C19H22Cl2N2OS and molecular weight 396.08 g/mol. IUPAC: 1-(2-chlorophenothiazin-10-yl)-3-(diethylamino)propan-1-one;hydrochloride.
Chemical Property Profile of 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride
Property Insights of 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride
The XLogP value of 5.623 indicates that 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride?
The CAS number of 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride is 114396-65-5.
What is the molecular formula of 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride?
The molecular formula of 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride is C19H22Cl2N2OS.
What is the molecular weight of 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride?
The molecular weight of 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride is 396.08 g/mol.
Where can I buy 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride?
You can request a quote for 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.