RefChem:318721
TL;DR: RefChem:318721 (CAS 66827-22-3) is a chemical compound with molecular formula C18H25N3O4S2 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Also Known As: D 207, Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, methyl sulfate, methyl sulfate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium, 10H-Pyrido[3,2-b][1,4]benzothiazine-10-ethanaminium, N,N,N,.beta.-tetramethyl-, methyl sulfate, N,N,N-Trimethyl-2-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium methyl sulfate
| Molecular Formula | C18H25N3O4S2 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 2.87 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.12866 |
| Heavy Atoms | 27 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 66827-22-3 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)N1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-] |
| InChIKey | CBDLIADAAWYOCL-UHFFFAOYSA-M |
Product Overview
RefChem:318721 (CAS 66827-22-3), with molecular formula C18H25N3O4S2 and molecular weight 411.13 g/mol. IUPAC: methyl sulfate;trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium.
Chemical Property Profile of RefChem:318721
Property Insights of RefChem:318721
The XLogP value of 2.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318721. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318721. Following Lipinski's Rule of Five, RefChem:318721 has 0 hydrogen bond donor(s) and 7 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 RefChem:318721?
The CAS number of RefChem:318721 is 66827-22-3.
What is the molecular formula of RefChem:318721?
The molecular formula of RefChem:318721 is C18H25N3O4S2.
What is the molecular weight of RefChem:318721?
The molecular weight of RefChem:318721 is 411.13 g/mol.
Where can I buy RefChem:318721?
You can request a quote for RefChem:318721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318721?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.