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 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C20H24ClNS |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 5.11882 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.1318 |
| Heavy Atoms | 23 |
| Complexity | 691.54596 |
Chemical Identifiers
| CAS Number | 122942-79-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C3=CC=CC=C3SC24CCN(CC4)C.Cl |
Product Overview
1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride (CAS 122942-79-4), with molecular formula C20H24ClNS and molecular weight 345.13 g/mol. IUPAC: 1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine];hydrochloride.
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 3.24 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 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 345.13 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-Methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3H)-4'-piperidine) hydrochloride?
Yes, KEHONG BIO 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.