1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride
TL;DR: 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride (CAS 122942-79-4) is a chemical compound with molecular formula C20H24ClNS and molecular weight 345.1318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine];hydrochloride
Also Known As: 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride, (+-)-1'-Methyl-3-(2-methylphenyl)-spiro(benzo(b)thiophene-2(3H),4'-piperidine) hydrochloride, Spiro(benzo(b)thiophene-2(3H),4'-piperidine), 1'-methyl-3-(2-methylphenyl)-, hydrochloride, (+-)-, 1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine] hydrochloride, 1'-Methyl-3-(2-methylphenyl)-3H-spiro[[1]benzothiophene-2,4'-piperidine]--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C20H24ClNS |
| Molecular Weight | 345.1318 g/mol |
| XLogP | 5.11882 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.1318 Da |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
| SMILES | CC1=CC=CC=C1C2C3=CC=CC=C3SC24CCN(CC4)C.Cl |
| InChIKey | PMTCRUKCWZBBIG-UHFFFAOYSA-N |
Chemical Property Profile of 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride
Property Insights of 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride
The XLogP value of 5.11882 indicates that 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride?
The CAS number of 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride is 122942-79-4.
What is the molecular formula of 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride?
The molecular formula of 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride is C20H24ClNS.
What is the molecular weight of 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride?
The molecular weight of 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride is 345.1318 g/mol.
Where can I buy 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride?
You can request a quote for 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.