Ipsapirone Hydrochloride
TL;DR: Ipsapirone Hydrochloride (CAS 92589-98-5) is a chemical compound with molecular formula C19H24ClN5O3S and molecular weight 437.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one;hydrochloride
Also Known As: Ipsapirone hydrochloride, Ipsapirone HCl, isapirone, BAY q 7821, Ipsapirone hydrochloride [USAN]
| Molecular Formula | C19H24ClN5O3S |
|---|---|
| Molecular Weight | 437.13 g/mol |
| LogP | 1.65 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.12885 |
| Heavy Atoms | 29 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 92589-98-5 |
|---|---|
| SMILES | C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4.Cl |
| InChIKey | USDUGJXCPKBJTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ipsapirone Hydrochloride (CAS 92589-98-5), with molecular formula C19H24ClN5O3S and molecular weight 437.13 g/mol. IUPAC: 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one;hydrochloride.
Chemical Property Profile of Ipsapirone Hydrochloride
Property Insights of Ipsapirone Hydrochloride
The XLogP value of 1.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ipsapirone Hydrochloride. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ipsapirone Hydrochloride. Following Lipinski's Rule of Five, Ipsapirone Hydrochloride has 1 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 Ipsapirone Hydrochloride?
The CAS number of Ipsapirone Hydrochloride is 92589-98-5.
What is the molecular formula of Ipsapirone Hydrochloride?
The molecular formula of Ipsapirone Hydrochloride is C19H24ClN5O3S.
What is the molecular weight of Ipsapirone Hydrochloride?
The molecular weight of Ipsapirone Hydrochloride is 437.13 g/mol.
Where can I buy Ipsapirone Hydrochloride?
You can request a quote for Ipsapirone Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ipsapirone Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ipsapirone Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.