2,3-dihydro-1H-phenothiazin-4(10H)-one
TL;DR: 2,3-dihydro-1H-phenothiazin-4(10H)-one (CAS 39853-56-0) is a chemical compound with molecular formula C12H11NOS and molecular weight 217.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,10-tetrahydrophenothiazin-4-one
Also Known As: 2,3-dihydro-1H-phenothiazin-4(10H)-one, 1,2,3,10-tetrahydrophenothiazin-4-one, 1,2,3-trihydrophenothiazin-4-one, 1H-Phenothiazin-4(10H)-one, 2,3-dihydro-, 2,3-dihydro-1H-phenothiazin-4-ol
| Molecular Formula | C12H11NOS |
|---|---|
| Molecular Weight | 217.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.05614 |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 39853-56-0 |
|---|---|
| SMILES | C1CC2=C(C(=O)C1)SC3=CC=CC=C3N2 |
| InChIKey | KOBHMYVVCCJHNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-dihydro-1H-phenothiazin-4(10H)-one (CAS 39853-56-0), with molecular formula C12H11NOS and molecular weight 217.06 g/mol. IUPAC: 1,2,3,10-tetrahydrophenothiazin-4-one.
Chemical Property Profile of 2,3-dihydro-1H-phenothiazin-4(10H)-one
Property Insights of 2,3-dihydro-1H-phenothiazin-4(10H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dihydro-1H-phenothiazin-4(10H)-one. With a topological polar surface area (TPSA) of 54.4 Ų, 2,3-dihydro-1H-phenothiazin-4(10H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-dihydro-1H-phenothiazin-4(10H)-one has 1 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 2,3-dihydro-1H-phenothiazin-4(10H)-one?
The CAS number of 2,3-dihydro-1H-phenothiazin-4(10H)-one is 39853-56-0.
What is the molecular formula of 2,3-dihydro-1H-phenothiazin-4(10H)-one?
The molecular formula of 2,3-dihydro-1H-phenothiazin-4(10H)-one is C12H11NOS.
What is the molecular weight of 2,3-dihydro-1H-phenothiazin-4(10H)-one?
The molecular weight of 2,3-dihydro-1H-phenothiazin-4(10H)-one is 217.06 g/mol.
Where can I buy 2,3-dihydro-1H-phenothiazin-4(10H)-one?
You can request a quote for 2,3-dihydro-1H-phenothiazin-4(10H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-dihydro-1H-phenothiazin-4(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dihydro-1H-phenothiazin-4(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.