齐拉西酮盐酸盐一水合物
TL;DR: 齐拉西酮盐酸盐一水合物 (CAS 138982-67-9) is a chemical compound with molecular formula C21H24Cl2N4O2S and molecular weight 466.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
齐拉西酮盐酸盐一水合物
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
Also Known As: Ziprasidone hydrochloride monohydrate, Ziprasidone hydrochloride, Geodon, Ziprasidone HCl, Ziprasidone
| Molecular Formula | C21H24Cl2N4O2S |
|---|---|
| Molecular Weight | 466.10 g/mol |
| LogP | 3.41 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.0997 |
| Heavy Atoms | 30 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 138982-67-9 |
|---|---|
| SMILES | C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl |
| InChIKey | ZCBZSCBNOOIHFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
齐拉西酮盐酸盐一水合物 (CAS 138982-67-9), with molecular formula C21H24Cl2N4O2S and molecular weight 466.10 g/mol. IUPAC: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride.
Chemical Property Profile of 齐拉西酮盐酸盐一水合物
Property Insights of 齐拉西酮盐酸盐一水合物
The XLogP value of 3.41 indicates that 齐拉西酮盐酸盐一水合物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 齐拉西酮盐酸盐一水合物. Following Lipinski's Rule of Five, 齐拉西酮盐酸盐一水合物 has 3 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 齐拉西酮盐酸盐一水合物?
The CAS number of 齐拉西酮盐酸盐一水合物 is 138982-67-9.
What is the molecular formula of 齐拉西酮盐酸盐一水合物?
The molecular formula of 齐拉西酮盐酸盐一水合物 is C21H24Cl2N4O2S.
What is the molecular weight of 齐拉西酮盐酸盐一水合物?
The molecular weight of 齐拉西酮盐酸盐一水合物 is 466.10 g/mol.
Where can I buy 齐拉西酮盐酸盐一水合物?
You can request a quote for 齐拉西酮盐酸盐一水合物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 齐拉西酮盐酸盐一水合物?
Yes, KEHONG BIO provides custom synthesis services for 齐拉西酮盐酸盐一水合物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.