Secergan
TL;DR: Secergan (CAS 298-48-6) is a chemical compound with molecular formula C18H21BrN2OS and molecular weight 392.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)azanium bromide
Also Known As: Secergan, Ammonium, bromide, Astra 1470, Phenthimentonium bromide, (1-(10-Phenothiazinylcarbonyl)ethyl)trimethylammonium bromide
| Molecular Formula | C18H21BrN2OS |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 0.91 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.0558 |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 298-48-6 |
|---|---|
| SMILES | CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.[Br-] |
| InChIKey | RLTKVEPESLKRSA-UHFFFAOYSA-M |
Product Overview
Secergan (CAS 298-48-6), with molecular formula C18H21BrN2OS and molecular weight 392.06 g/mol. IUPAC: trimethyl-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)azanium bromide.
Chemical Property Profile of Secergan
Property Insights of Secergan
The XLogP value of 0.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Secergan. With a topological polar surface area (TPSA) of 45.6 Ų, Secergan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Secergan 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 Secergan?
The CAS number of Secergan is 298-48-6.
What is the molecular formula of Secergan?
The molecular formula of Secergan is C18H21BrN2OS.
What is the molecular weight of Secergan?
The molecular weight of Secergan is 392.06 g/mol.
Where can I buy Secergan?
You can request a quote for Secergan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secergan?
Yes, KEHONG BIO provides custom synthesis services for Secergan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.