RefChem:318720
TL;DR: RefChem:318720 (CAS 66859-40-3) is a chemical compound with molecular formula C19H27N3O4S2 and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl sulfate;trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Also Known As: D 266, Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, ethyl sulfate, ethyl 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-, ethyl sulfate, N,N,N-trimethyl-2-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium ethyl sulfate
| Molecular Formula | C19H27N3O4S2 |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 3.26 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.1443 |
| Heavy Atoms | 28 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 66859-40-3 |
|---|---|
| SMILES | CCOS(=O)(=O)[O-].CC(C[N+](C)(C)C)N1C2=CC=CC=C2SC3=C1N=CC=C3 |
| InChIKey | NYZBJKVPWHHEOI-UHFFFAOYSA-M |
Product Overview
RefChem:318720 (CAS 66859-40-3), with molecular formula C19H27N3O4S2 and molecular weight 425.14 g/mol. IUPAC: ethyl sulfate;trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium.
Chemical Property Profile of RefChem:318720
Property Insights of RefChem:318720
The XLogP value of 3.26 indicates that RefChem:318720 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318720. Following Lipinski's Rule of Five, RefChem:318720 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:318720?
The CAS number of RefChem:318720 is 66859-40-3.
What is the molecular formula of RefChem:318720?
The molecular formula of RefChem:318720 is C19H27N3O4S2.
What is the molecular weight of RefChem:318720?
The molecular weight of RefChem:318720 is 425.14 g/mol.
Where can I buy RefChem:318720?
You can request a quote for RefChem:318720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318720?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.