Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate
TL;DR: Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate (CAS 67466-13-1) is a chemical compound with molecular formula C20H27N3O4S2 and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyrido[3,2-b][1,4]benzothiazine;methyl sulfate
Also Known As: Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate, 1-Methyl-1-[3-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]pyrrolidin-1-ium methyl sulfate, 10-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyrido[3,2-b][1,4]benzothiazine; methyl sulfate, Pyrrolidinium, 1-methyl-1-[3-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-, methyl sulfate, RefChem:378161
| Molecular Formula | C20H27N3O4S2 |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 3.4078 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.1443 |
| Heavy Atoms | 29 |
| Complexity | 885.3285 |
Chemical Identifiers
| CAS Number | 67466-13-1 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCCN2C3=CC=CC=C3SC4=C2N=CC=C4.COS(=O)(=O)[O-] |
Product Overview
Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate (CAS 67466-13-1), with molecular formula C20H27N3O4S2 and molecular weight 437.14 g/mol. IUPAC: 10-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyrido[3,2-b][1,4]benzothiazine;methyl sulfate.
Chemical Property Profile of Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate
Property Insights of Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate
The XLogP value of 3.4078 indicates that Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate. Following Lipinski's Rule of Five, Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate 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 Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate?
The CAS number of Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate is 67466-13-1.
What is the molecular formula of Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate?
The molecular formula of Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate is C20H27N3O4S2.
What is the molecular weight of Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate?
The molecular weight of Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate is 437.14 g/mol.
Where can I buy Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate?
You can request a quote for Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidinium, 1-methyl-1-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.