Revospirone
TL;DR: Revospirone (CAS 95847-87-3) is a chemical compound with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one
Also Known As: Revospirone, Revospirona, Revospironum, Revospirone [INN:BAN], Revospirone (~90%)
| Molecular Formula | C18H21N5O3S |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.1365 |
| Heavy Atoms | 27 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 95847-87-3 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4 |
| InChIKey | MPLTZRTXQLNGED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Revospirone (CAS 95847-87-3), with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol. IUPAC: 1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one.
Chemical Property Profile of Revospirone
Property Insights of Revospirone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Revospirone. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Revospirone. Following Lipinski's Rule of Five, Revospirone 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 Revospirone?
The CAS number of Revospirone is 95847-87-3.
What is the molecular formula of Revospirone?
The molecular formula of Revospirone is C18H21N5O3S.
What is the molecular weight of Revospirone?
The molecular weight of Revospirone is 387.14 g/mol.
Where can I buy Revospirone?
You can request a quote for Revospirone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Revospirone?
Yes, KEHONG BIO provides custom synthesis services for Revospirone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.