1-(3-Bromo-4-methylbenzoyl)piperidine
TL;DR: 1-(3-Bromo-4-methylbenzoyl)piperidine (CAS 443298-16-6) is a chemical compound with molecular formula C13H16BrNO and molecular weight 281.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
Also Known As: 1-(3-bromo-4-methylbenzoyl)piperidine, (3-bromo-4-methylphenyl)(piperidin-1-yl)methanone, 3-bromo-4-methylphenyl piperidyl ketone, (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone, AN-329/41006723
| Molecular Formula | C13H16BrNO |
|---|---|
| Molecular Weight | 281.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.04153 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 443298-16-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCCCC2)Br |
| InChIKey | FVLDLKJJBILBIZ-UHFFFAOYSA-N |
Product Overview
1-(3-Bromo-4-methylbenzoyl)piperidine (CAS 443298-16-6), with molecular formula C13H16BrNO and molecular weight 281.04 g/mol. IUPAC: (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone.
Chemical Property Profile of 1-(3-Bromo-4-methylbenzoyl)piperidine
Property Insights of 1-(3-Bromo-4-methylbenzoyl)piperidine
The XLogP value of 3.3 indicates that 1-(3-Bromo-4-methylbenzoyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(3-Bromo-4-methylbenzoyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromo-4-methylbenzoyl)piperidine has 0 hydrogen bond donor(s) and 1 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-Bromo-4-methylbenzoyl)piperidine?
The CAS number of 1-(3-Bromo-4-methylbenzoyl)piperidine is 443298-16-6.
What is the molecular formula of 1-(3-Bromo-4-methylbenzoyl)piperidine?
The molecular formula of 1-(3-Bromo-4-methylbenzoyl)piperidine is C13H16BrNO.
What is the molecular weight of 1-(3-Bromo-4-methylbenzoyl)piperidine?
The molecular weight of 1-(3-Bromo-4-methylbenzoyl)piperidine is 281.04 g/mol.
Where can I buy 1-(3-Bromo-4-methylbenzoyl)piperidine?
You can request a quote for 1-(3-Bromo-4-methylbenzoyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromo-4-methylbenzoyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromo-4-methylbenzoyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.