![1-[(2-Methylphenyl)sulfanylmethyl]piperidine structure](/static/products/7531/75312-66-2.webp)
1-[(2-Methylphenyl)sulfanylmethyl]piperidine
TL;DR: 1-[(2-Methylphenyl)sulfanylmethyl]piperidine (CAS 75312-66-2) is a chemical compound with molecular formula C19H22N4O7S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methylphenyl)sulfanylmethyl]piperidine;2,4,6-trinitrophenol
Also Known As: 1-[(2-methylphenyl)sulfanylmethyl]piperidine, 3-tert-butyl-1-phenyl-5(1H)-pyrazolone, 2,4,6-trinitrophenol- 1-{[(2-methylphenyl)sulfanyl]methyl}piperidine(1:1), 1-[(2-methylphenyl)sulfanylmethyl]piperidine,2,4,6-trinitrop, 1-[(2-methylphenyl)sulfanylmethyl]piperidine,2,4,6-trinitrophenol
| Molecular Formula | C19H22N4O7S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 4.64732 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.1209 |
| Heavy Atoms | 31 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 75312-66-2 |
|---|---|
| SMILES | CC1=CC=CC=C1SCN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AXRQGICOFGGJER-UHFFFAOYSA-N |
Product Overview
1-[(2-Methylphenyl)sulfanylmethyl]piperidine (CAS 75312-66-2), with molecular formula C19H22N4O7S and molecular weight 450.12 g/mol. IUPAC: 1-[(2-methylphenyl)sulfanylmethyl]piperidine;2,4,6-trinitrophenol.
Chemical Property Profile of 1-[(2-Methylphenyl)sulfanylmethyl]piperidine
Property Insights of 1-[(2-Methylphenyl)sulfanylmethyl]piperidine
The XLogP value of 4.64732 indicates that 1-[(2-Methylphenyl)sulfanylmethyl]piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting 1-[(2-Methylphenyl)sulfanylmethyl]piperidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[(2-Methylphenyl)sulfanylmethyl]piperidine has 1 hydrogen bond donor(s) and 9 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 1-[(2-Methylphenyl)sulfanylmethyl]piperidine?
The CAS number of 1-[(2-Methylphenyl)sulfanylmethyl]piperidine is 75312-66-2.
What is the molecular formula of 1-[(2-Methylphenyl)sulfanylmethyl]piperidine?
The molecular formula of 1-[(2-Methylphenyl)sulfanylmethyl]piperidine is C19H22N4O7S.
What is the molecular weight of 1-[(2-Methylphenyl)sulfanylmethyl]piperidine?
The molecular weight of 1-[(2-Methylphenyl)sulfanylmethyl]piperidine is 450.12 g/mol.
Where can I buy 1-[(2-Methylphenyl)sulfanylmethyl]piperidine?
You can request a quote for 1-[(2-Methylphenyl)sulfanylmethyl]piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Methylphenyl)sulfanylmethyl]piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Methylphenyl)sulfanylmethyl]piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.