3-propan-2-ylthianthrene 5-oxide
TL;DR: 3-propan-2-ylthianthrene 5-oxide (CAS 67363-84-2) 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-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrido[3,2-b][1,4]benzothiazine;methyl sulfate
Also Known As: 3-propan-2-ylthianthrene 5-oxide, Piperidinium, 1-methyl-1-(2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)ethyl)-, methyl sulfate, 2-(4-methoxyphenyl)-3-phenyl-3-sulfanylprop-2-enal, 2-[2-(1-carboxyethenoxycarbonyl)benzoyl]oxyprop-2-enoic acid, 10-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrido[3,2-b][1,4]benzothiazine,methyl sulfate
| 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 | 4 |
| Exact Mass | 437.1443 |
| Heavy Atoms | 29 |
| Complexity | 885.3285 |
Chemical Identifiers
| CAS Number | 67363-84-2 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CCN2C3=CC=CC=C3SC4=C2N=CC=C4.COS(=O)(=O)[O-] |
Product Overview
3-propan-2-ylthianthrene 5-oxide (CAS 67363-84-2), with molecular formula C20H27N3O4S2 and molecular weight 437.14 g/mol. IUPAC: 10-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrido[3,2-b][1,4]benzothiazine;methyl sulfate.
Chemical Property Profile of 3-propan-2-ylthianthrene 5-oxide
Property Insights of 3-propan-2-ylthianthrene 5-oxide
The XLogP value of 3.4078 indicates that 3-propan-2-ylthianthrene 5-oxide 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 3-propan-2-ylthianthrene 5-oxide. Following Lipinski's Rule of Five, 3-propan-2-ylthianthrene 5-oxide 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 3-propan-2-ylthianthrene 5-oxide?
The CAS number of 3-propan-2-ylthianthrene 5-oxide is 67363-84-2.
What is the molecular formula of 3-propan-2-ylthianthrene 5-oxide?
The molecular formula of 3-propan-2-ylthianthrene 5-oxide is C20H27N3O4S2.
What is the molecular weight of 3-propan-2-ylthianthrene 5-oxide?
The molecular weight of 3-propan-2-ylthianthrene 5-oxide is 437.14 g/mol.
Where can I buy 3-propan-2-ylthianthrene 5-oxide?
You can request a quote for 3-propan-2-ylthianthrene 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-propan-2-ylthianthrene 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-propan-2-ylthianthrene 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.