RefChem:318834
TL;DR: RefChem:318834 (CAS 66827-24-5) 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(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Also Known As: Ammonium, (3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, methyl sulfate, 10H-Pyrido[3,2-b][1,4]benzothiazine-10-propanaminium, N,N,N-trimethyl-, methyl sulfate, methyl sulfate; trimethyl(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium, N,N,N-Trimethyl-3-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium methyl sulfate, RefChem:318834
| 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 | 4 |
| Exact Mass | 411.12866 |
| Heavy Atoms | 27 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 66827-24-5 |
|---|---|
| SMILES | C[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-] |
| InChIKey | PPESDUSXMBASPN-UHFFFAOYSA-M |
Product Overview
RefChem:318834 (CAS 66827-24-5), with molecular formula C18H25N3O4S2 and molecular weight 411.13 g/mol. IUPAC: methyl sulfate;trimethyl(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium.
Chemical Property Profile of RefChem:318834
Property Insights of RefChem:318834
The XLogP value of 2.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318834. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318834. Following Lipinski's Rule of Five, RefChem:318834 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:318834?
The CAS number of RefChem:318834 is 66827-24-5.
What is the molecular formula of RefChem:318834?
The molecular formula of RefChem:318834 is C18H25N3O4S2.
What is the molecular weight of RefChem:318834?
The molecular weight of RefChem:318834 is 411.13 g/mol.
Where can I buy RefChem:318834?
You can request a quote for RefChem:318834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318834?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.