(5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone
TL;DR: (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone (CAS 399006-00-9) is a chemical compound with molecular formula C14H18BrNO and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-2,3,4-trimethylphenyl)-pyrrolidin-1-ylmethanone
Also Known As: 1-(5-BROMO-2,3,4-TRIMETHYLBENZOYL)PYRROLIDINE, (5-bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone, (5-bromo-2,3,4-trimethylphenyl)-pyrrolidin-1-ylmethanone, (5-bromo-2,3,4-trimethylphenyl)(1-pyrrolidinyl)methanone, Cambridge id 6431852
| Molecular Formula | C14H18BrNO |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0572 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 399006-00-9 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1C)Br)C(=O)N2CCCC2)C |
| InChIKey | MAVGPEBWZWIZKQ-UHFFFAOYSA-N |
Product Overview
(5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone (CAS 399006-00-9), with molecular formula C14H18BrNO and molecular weight 295.06 g/mol. IUPAC: (5-bromo-2,3,4-trimethylphenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone
Property Insights of (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone
The XLogP value of 3.7 indicates that (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone 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 (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone?
The CAS number of (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone is 399006-00-9.
What is the molecular formula of (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone?
The molecular formula of (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone is C14H18BrNO.
What is the molecular weight of (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone?
The molecular weight of (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone is 295.06 g/mol.
Where can I buy (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone?
You can request a quote for (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-Bromo-2,3,4-trimethylphenyl)(pyrrolidin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.