1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine
TL;DR: 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine (CAS 399006-03-2) is a chemical compound with molecular formula C15H20BrNO and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-2,3,4-trimethylphenyl)-piperidin-1-ylmethanone
Also Known As: 1-(5-BROMO-2,3,4-TRIMETHYLBENZOYL)PIPERIDINE, (5-bromo-2,3,4-trimethylphenyl)(piperidin-1-yl)methanone, F0848-0421, (5-bromo-2,3,4-trimethylphenyl)-piperidin-1-ylmethanone, (5-bromo-2,3,4-trimethylphenyl)piperidinomethanone
| Molecular Formula | C15H20BrNO |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.0728 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 399006-03-2 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1C)Br)C(=O)N2CCCCC2)C |
| InChIKey | AGPSCLFMHAUYFN-UHFFFAOYSA-N |
Product Overview
1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine (CAS 399006-03-2), with molecular formula C15H20BrNO and molecular weight 309.07 g/mol. IUPAC: (5-bromo-2,3,4-trimethylphenyl)-piperidin-1-ylmethanone.
Chemical Property Profile of 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine
Property Insights of 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine
The XLogP value of 4.0 indicates that 1-(5-Bromo-2,3,4-trimethylbenzoyl)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-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromo-2,3,4-trimethylbenzoyl)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-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine?
The CAS number of 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine is 399006-03-2.
What is the molecular formula of 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine?
The molecular formula of 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine is C15H20BrNO.
What is the molecular weight of 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine?
The molecular weight of 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine is 309.07 g/mol.
Where can I buy 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine?
You can request a quote for 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2,3,4-trimethylbenzoyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.