Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate
TL;DR: Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate (CAS 63834-07-1) is a chemical compound with molecular formula C21H32N2O4S and molecular weight 408.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-tert-butyl-10-oxido-5-oxophenothiazin-10-ium-10-yl)-N,N-dimethylpropan-1-amine;dihydrate
Also Known As: 2-tert-Butyl-10-(3-dimethylaminopropyl)phenothiazine-N,5-dioxide dihydrate, Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate, 3-(2-tert-butyl-5,10-dioxido-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine dihydrate, 2-tert-Butyl-10-[3-(dimethylamino)propyl]-10-oxo-5lambda~4~,10lambda~5~-phenothiazin-5(10H)-one--water (1/2), 3-(2-tert-butyl-10-oxido-5-oxophenothiazin-10-ium-10-yl)-N,N-dimethylpropan-1-amine dihydrate
| Molecular Formula | C21H32N2O4S |
|---|---|
| Molecular Weight | 408.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.20828 |
| Heavy Atoms | 28 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 63834-07-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3[N+]2(CCCN(C)C)[O-].O.O |
| InChIKey | UPCGRNOLIKUHRT-UHFFFAOYSA-N |
Product Overview
Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate (CAS 63834-07-1), with molecular formula C21H32N2O4S and molecular weight 408.21 g/mol. IUPAC: 3-(2-tert-butyl-10-oxido-5-oxophenothiazin-10-ium-10-yl)-N,N-dimethylpropan-1-amine;dihydrate.
Chemical Property Profile of Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate
Property Insights of Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate. With a topological polar surface area (TPSA) of 59.6 Ų, Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate has 2 hydrogen bond donor(s) and 6 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, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate?
The CAS number of Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate is 63834-07-1.
What is the molecular formula of Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate?
The molecular formula of Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate is C21H32N2O4S.
What is the molecular weight of Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate?
The molecular weight of Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate is 408.21 g/mol.
Where can I buy Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate?
You can request a quote for Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.