2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide
TL;DR: 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide (CAS 39853-70-8) is a chemical compound with molecular formula C14H15NO2S and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R)-2,2-dimethyl-5-oxo-3,10-dihydro-1H-phenothiazin-4-one
Also Known As: 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide, AH-262/32928004, 2,2-dimethyl-5-oxo-3,10-dihydro-1H-phenothiazin-4-one, 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide #, 2,3-Dihydro-2,2-dimethyl-1H-phenothiazin-4(10H)-one, 5-oxide
| Molecular Formula | C14H15NO2S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.08234 |
| Heavy Atoms | 18 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 39853-70-8 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)[S@](=O)C3=CC=CC=C3N2)C |
| InChIKey | FVJIYGKDFSPZQX-GOSISDBHSA-N |
Product Overview
2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide (CAS 39853-70-8), with molecular formula C14H15NO2S and molecular weight 261.08 g/mol. IUPAC: (5R)-2,2-dimethyl-5-oxo-3,10-dihydro-1H-phenothiazin-4-one.
Chemical Property Profile of 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide
Property Insights of 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide. Following Lipinski's Rule of Five, 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide 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 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide?
The CAS number of 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide is 39853-70-8.
What is the molecular formula of 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide?
The molecular formula of 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide is C14H15NO2S.
What is the molecular weight of 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide?
The molecular weight of 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide is 261.08 g/mol.
Where can I buy 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide?
You can request a quote for 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-2,3-dihydro-1H-phenothiazin-4(10H)-one 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.