3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride
TL;DR: 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride (CAS 2391-29-9) is a chemical compound with molecular formula C18H22ClN3S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(diethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride
Also Known As: 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride, (7-diethylaminophenothiazin-3-ylidene)-dimethyl-azanium Chloride, [7-(diethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride, [7-(diethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride
| Molecular Formula | C18H22ClN3S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 0.2831 |
| Topological Polar Surface Area | 19.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.12228 |
| Heavy Atoms | 23 |
| Complexity | 848.40424 |
Chemical Identifiers
| CAS Number | 2391-29-9 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-] |
Product Overview
3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride (CAS 2391-29-9), with molecular formula C18H22ClN3S and molecular weight 347.12 g/mol. IUPAC: [7-(diethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride.
Chemical Property Profile of 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride
Property Insights of 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride
The XLogP value of 0.2831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride. With a topological polar surface area (TPSA) of 19.14 Ų, 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride 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 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride?
The CAS number of 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride is 2391-29-9.
What is the molecular formula of 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride?
The molecular formula of 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride is C18H22ClN3S.
What is the molecular weight of 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride?
The molecular weight of 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride is 347.12 g/mol.
Where can I buy 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride?
You can request a quote for 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.