2-(N-tert-Butylamino)-3'-bromopropiophenone
TL;DR: 2-(N-tert-Butylamino)-3'-bromopropiophenone (CAS 1049974-35-7) is a chemical compound with molecular formula C13H18BrNO and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one
Also Known As: Bupropion Impurity 4, Bupropion Related Compound B, 1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one, 2-(N-tert-Butylamino)-3'-bromopropiophenone, 1-(3-Bromophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone
| Molecular Formula | C13H18BrNO |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 3.4084 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0572 |
| Heavy Atoms | 16 |
| Complexity | 381.76413 |
Chemical Identifiers
| CAS Number | 1049974-35-7 |
|---|---|
| SMILES | CC(C(=O)C1=CC(=CC=C1)Br)NC(C)(C)C |
Product Overview
2-(N-tert-Butylamino)-3'-bromopropiophenone (CAS 1049974-35-7), with molecular formula C13H18BrNO and molecular weight 283.06 g/mol. IUPAC: 1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one.
Chemical Property Profile of 2-(N-tert-Butylamino)-3'-bromopropiophenone
Property Insights of 2-(N-tert-Butylamino)-3'-bromopropiophenone
The XLogP value of 3.4084 indicates that 2-(N-tert-Butylamino)-3'-bromopropiophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-(N-tert-Butylamino)-3'-bromopropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(N-tert-Butylamino)-3'-bromopropiophenone has 1 hydrogen bond donor(s) and 2 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 2-(N-tert-Butylamino)-3'-bromopropiophenone?
The CAS number of 2-(N-tert-Butylamino)-3'-bromopropiophenone is 1049974-35-7.
What is the molecular formula of 2-(N-tert-Butylamino)-3'-bromopropiophenone?
The molecular formula of 2-(N-tert-Butylamino)-3'-bromopropiophenone is C13H18BrNO.
What is the molecular weight of 2-(N-tert-Butylamino)-3'-bromopropiophenone?
The molecular weight of 2-(N-tert-Butylamino)-3'-bromopropiophenone is 283.06 g/mol.
Where can I buy 2-(N-tert-Butylamino)-3'-bromopropiophenone?
You can request a quote for 2-(N-tert-Butylamino)-3'-bromopropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-tert-Butylamino)-3'-bromopropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-tert-Butylamino)-3'-bromopropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.