Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1
TL;DR: Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1 (CAS 81382-52-7) is a chemical compound with molecular formula C19H21N5O4S and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
Also Known As: Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1
| Molecular Formula | C19H21N5O4S |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 1.84 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.13144 |
| Heavy Atoms | 29 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 81382-52-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=NC=CN24.C(=CC(=O)O)C(=O)O |
| InChIKey | VVNCUDFIJWCVHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1 (CAS 81382-52-7), with molecular formula C19H21N5O4S and molecular weight 415.13 g/mol. IUPAC: but-2-enedioic acid;5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine.
Chemical Property Profile of Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1
Property Insights of Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1
The XLogP value of 1.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1. Following Lipinski's Rule of Five, Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1 has 2 hydrogen bond donor(s) and 8 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 Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1?
The CAS number of Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1 is 81382-52-7.
What is the molecular formula of Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1?
The molecular formula of Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1 is C19H21N5O4S.
What is the molecular weight of Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1?
The molecular weight of Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1 is 415.13 g/mol.
Where can I buy Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1?
You can request a quote for Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1?
Yes, KEHONG BIO provides custom synthesis services for Imidazo(2,1-b)(1,3,5)benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate(1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.