1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione
TL;DR: 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione (CAS 714259-83-3) is a chemical compound with molecular formula C14H17NO2S and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-(4-methylpiperidin-1-yl)methanethione
Also Known As: 1,3-benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione, 1,3-benzodioxol-5-yl-(4-methylpiperidin-1-yl)methanethione, 1-(1,3-benzodioxol-5-ylcarbonothioyl)-4-methylpiperidine
| Molecular Formula | C14H17NO2S |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 2.8227 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.098 |
| Heavy Atoms | 18 |
| Complexity | 466.86185 |
Chemical Identifiers
| CAS Number | 714259-83-3 |
|---|---|
| SMILES | CC1CCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3 |
Product Overview
1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione (CAS 714259-83-3), with molecular formula C14H17NO2S and molecular weight 263.10 g/mol. IUPAC: 1,3-benzodioxol-5-yl-(4-methylpiperidin-1-yl)methanethione.
Chemical Property Profile of 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione
Property Insights of 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione
The XLogP value of 2.8227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione. With a topological polar surface area (TPSA) of 21.7 Ų, 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione has 0 hydrogen bond donor(s) and 3 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 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione?
The CAS number of 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione is 714259-83-3.
What is the molecular formula of 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione?
The molecular formula of 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione is C14H17NO2S.
What is the molecular weight of 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione?
The molecular weight of 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione is 263.10 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione?
You can request a quote for 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl(4-methylpiperidin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.