SM 9018
TL;DR: SM 9018 (CAS 129273-38-7) is a chemical compound with molecular formula C23H31ClN4O2S and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
Also Known As: Perospirone hydrochloride, Perospirone, PEROSPIRONE HCl, Lullan, SM-9018 hydrochloride
| Molecular Formula | C23H31ClN4O2S |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.18564 |
| Heavy Atoms | 31 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 129273-38-7 |
|---|---|
| SMILES | C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54.Cl |
| InChIKey | HIZFAPMOZFYELI-GNXQHMNLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SM 9018 (CAS 129273-38-7), with molecular formula C23H31ClN4O2S and molecular weight 462.19 g/mol. IUPAC: (3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride.
Chemical Property Profile of SM 9018
Property Insights of SM 9018
The XLogP value of 3.8 indicates that SM 9018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SM 9018. Following Lipinski's Rule of Five, SM 9018 has 1 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 SM 9018?
The CAS number of SM 9018 is 129273-38-7.
What is the molecular formula of SM 9018?
The molecular formula of SM 9018 is C23H31ClN4O2S.
What is the molecular weight of SM 9018?
The molecular weight of SM 9018 is 462.19 g/mol.
Where can I buy SM 9018?
You can request a quote for SM 9018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SM 9018?
Yes, KEHONG BIO provides custom synthesis services for SM 9018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.