10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester
TL;DR: 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester (CAS 40521-06-0) is a chemical compound with molecular formula C24H24N4OS2 and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(4-phenylpiperazin-1-yl)ethyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Also Known As: 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester, S-(2-(4-Phenyl-1-piperazinyl)ethyl) 10H-pyrido(3,2-b)(1,4)benzothiazine-10-carbothioate, s-[2-(4-phenylpiperazin-1-yl)ethyl] 10h-pyrido[3,2-b][1,4]benzothiazine-10-carbothioate, S-[2-(4-phenylpiperazin-1-yl)ethyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate, BRN 1051573
| Molecular Formula | C24H24N4OS2 |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.13916 |
| Heavy Atoms | 31 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 40521-06-0 |
|---|---|
| SMILES | C1CN(CCN1CCSC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4)C5=CC=CC=C5 |
| InChIKey | LKBRXHQWCMOJHJ-UHFFFAOYSA-N |
Product Overview
10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester (CAS 40521-06-0), with molecular formula C24H24N4OS2 and molecular weight 448.14 g/mol. IUPAC: S-[2-(4-phenylpiperazin-1-yl)ethyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate.
Chemical Property Profile of 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester
Property Insights of 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester
The XLogP value of 4.8 indicates that 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester. Following Lipinski's Rule of Five, 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester has 0 hydrogen bond donor(s) and 6 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 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester?
The CAS number of 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester is 40521-06-0.
What is the molecular formula of 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester?
The molecular formula of 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester is C24H24N4OS2.
What is the molecular weight of 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester?
The molecular weight of 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester is 448.14 g/mol.
Where can I buy 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester?
You can request a quote for 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.