Phenothiazine-10-propionitrile
TL;DR: Phenothiazine-10-propionitrile (CAS 20514-52-7) is a chemical compound with molecular formula C15H12N2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenothiazin-10-ylpropanenitrile
Also Known As: Phenothiazine-10-propionitrile, 10-(2-Cyanoethyl)phenothiazine, 10H-Phenothiazine-10-propanenitrile, 3-(10H-Phenothiazin-10-yl)propanenitrile, 3-phenothiazin-10-ylpropanenitrile
| Molecular Formula | C15H12N2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07211 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 20514-52-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC#N |
| InChIKey | YYDIIBWHOHWIOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenothiazine-10-propionitrile (CAS 20514-52-7), with molecular formula C15H12N2S and molecular weight 252.07 g/mol. IUPAC: 3-phenothiazin-10-ylpropanenitrile.
Chemical Property Profile of Phenothiazine-10-propionitrile
Property Insights of Phenothiazine-10-propionitrile
The XLogP value of 3.8 indicates that Phenothiazine-10-propionitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Phenothiazine-10-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenothiazine-10-propionitrile has 0 hydrogen bond donor(s) and 3 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 Phenothiazine-10-propionitrile?
The CAS number of Phenothiazine-10-propionitrile is 20514-52-7.
What is the molecular formula of Phenothiazine-10-propionitrile?
The molecular formula of Phenothiazine-10-propionitrile is C15H12N2S.
What is the molecular weight of Phenothiazine-10-propionitrile?
The molecular weight of Phenothiazine-10-propionitrile is 252.07 g/mol.
Where can I buy Phenothiazine-10-propionitrile?
You can request a quote for Phenothiazine-10-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenothiazine-10-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for Phenothiazine-10-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.