3-Chloro-1-phenothiazin-10-yl-propan-1-one
TL;DR: 3-Chloro-1-phenothiazin-10-yl-propan-1-one (CAS 53521-41-8) is a chemical compound with molecular formula C15H12ClNOS and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-phenothiazin-10-ylpropan-1-one
Also Known As: 3-Chloro-1-phenothiazin-10-yl-propan-1-one, 3-chloro-1-(10h-phenothiazin-10-yl)propan-1-one, 10-(3-Chloropropanoyl)-10H-phenothiazine, 3-chloro-1-phenothiazin-10-ylpropan-1-one, NCIOpen2_002618
| Molecular Formula | C15H12ClNOS |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0328 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 53521-41-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CCCl |
| InChIKey | QDMBCNDXWXEIAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1-phenothiazin-10-yl-propan-1-one (CAS 53521-41-8), with molecular formula C15H12ClNOS and molecular weight 289.03 g/mol. IUPAC: 3-chloro-1-phenothiazin-10-ylpropan-1-one.
Chemical Property Profile of 3-Chloro-1-phenothiazin-10-yl-propan-1-one
Property Insights of 3-Chloro-1-phenothiazin-10-yl-propan-1-one
The XLogP value of 3.5 indicates that 3-Chloro-1-phenothiazin-10-yl-propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 3-Chloro-1-phenothiazin-10-yl-propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-phenothiazin-10-yl-propan-1-one has 0 hydrogen bond donor(s) and 2 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 3-Chloro-1-phenothiazin-10-yl-propan-1-one?
The CAS number of 3-Chloro-1-phenothiazin-10-yl-propan-1-one is 53521-41-8.
What is the molecular formula of 3-Chloro-1-phenothiazin-10-yl-propan-1-one?
The molecular formula of 3-Chloro-1-phenothiazin-10-yl-propan-1-one is C15H12ClNOS.
What is the molecular weight of 3-Chloro-1-phenothiazin-10-yl-propan-1-one?
The molecular weight of 3-Chloro-1-phenothiazin-10-yl-propan-1-one is 289.03 g/mol.
Where can I buy 3-Chloro-1-phenothiazin-10-yl-propan-1-one?
You can request a quote for 3-Chloro-1-phenothiazin-10-yl-propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-phenothiazin-10-yl-propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-phenothiazin-10-yl-propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.