3-Bromo-1-tosylpiperidin-4-one
TL;DR: 3-Bromo-1-tosylpiperidin-4-one (CAS 171009-41-9) is a chemical compound with molecular formula C12H14BrNO3S and molecular weight 330.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1-(4-methylphenyl)sulfonylpiperidin-4-one
Also Known As: 3-Bromo-1-tosylpiperidin-4-one, 1-tosyl-3-bromo-piperidin-4-one, 3-bromo-1-(4-methylphenyl)sulfonylpiperidin-4-one, 3-bromo-1-(4-methylphenyl)sulfonyl-piperidin-4-one, 3-Bromo-1-(4-methylbenzene-1-sulfonyl)piperidin-4-one
| Molecular Formula | C12H14BrNO3S |
|---|---|
| Molecular Weight | 330.99 g/mol |
| LogP | 1.72202 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.9878 |
| Heavy Atoms | 18 |
| Complexity | 553.1902 |
Chemical Identifiers
| CAS Number | 171009-41-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C(C2)Br |
Product Overview
3-Bromo-1-tosylpiperidin-4-one (CAS 171009-41-9), with molecular formula C12H14BrNO3S and molecular weight 330.99 g/mol. IUPAC: 3-bromo-1-(4-methylphenyl)sulfonylpiperidin-4-one.
Chemical Property Profile of 3-Bromo-1-tosylpiperidin-4-one
Property Insights of 3-Bromo-1-tosylpiperidin-4-one
The XLogP value of 1.72202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1-tosylpiperidin-4-one. With a topological polar surface area (TPSA) of 54.45 Ų, 3-Bromo-1-tosylpiperidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1-tosylpiperidin-4-one 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 3-Bromo-1-tosylpiperidin-4-one?
The CAS number of 3-Bromo-1-tosylpiperidin-4-one is 171009-41-9.
What is the molecular formula of 3-Bromo-1-tosylpiperidin-4-one?
The molecular formula of 3-Bromo-1-tosylpiperidin-4-one is C12H14BrNO3S.
What is the molecular weight of 3-Bromo-1-tosylpiperidin-4-one?
The molecular weight of 3-Bromo-1-tosylpiperidin-4-one is 330.99 g/mol.
Where can I buy 3-Bromo-1-tosylpiperidin-4-one?
You can request a quote for 3-Bromo-1-tosylpiperidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1-tosylpiperidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-tosylpiperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.