10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine
TL;DR: 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine (CAS 136772-40-2) is a chemical compound with molecular formula C17H18N4S and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylpiperazin-1-yl)pyrido[4,3-b][1,4]benzothiazepine
Also Known As: JL3 Compound, 10- pyrido benzothiazepine, 10- pyrido benzothiazepine, 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine, 6-(4-methylpiperazin-1-yl)pyrido[4,3-b][1,4]benzothiazepine
| Molecular Formula | C17H18N4S |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.1252 |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 136772-40-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(C=CN=C3)SC4=CC=CC=C42 |
| InChIKey | GCTKZGZNZBTSIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine (CAS 136772-40-2), with molecular formula C17H18N4S and molecular weight 310.13 g/mol. IUPAC: 6-(4-methylpiperazin-1-yl)pyrido[4,3-b][1,4]benzothiazepine.
Chemical Property Profile of 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine
Property Insights of 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine. With a topological polar surface area (TPSA) of 57.0 Ų, 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine has 0 hydrogen bond donor(s) and 4 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 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine?
The CAS number of 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine is 136772-40-2.
What is the molecular formula of 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine?
The molecular formula of 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine is C17H18N4S.
What is the molecular weight of 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine?
The molecular weight of 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine is 310.13 g/mol.
Where can I buy 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine?
You can request a quote for 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.