2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
TL;DR: 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide (CAS 695170-63-9) is a chemical compound with molecular formula C13H18BrNO2 and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
Also Known As: 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide, 2-(4-bromo-3-methylphenoxy)-N-(butan-2-yl)acetamide, 2-(4-bromo-3-methylphenoxy)-N-(sec-butyl)acetamide
| Molecular Formula | C13H18BrNO2 |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 3.05102 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0521 |
| Heavy Atoms | 17 |
| Complexity | 393.0059 |
Chemical Identifiers
| CAS Number | 695170-63-9 |
|---|---|
| SMILES | CCC(C)NC(=O)COC1=CC(=C(C=C1)Br)C |
Product Overview
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide (CAS 695170-63-9), with molecular formula C13H18BrNO2 and molecular weight 299.05 g/mol. IUPAC: 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide.
Chemical Property Profile of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
Property Insights of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
The XLogP value of 3.05102 indicates that 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide 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-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide?
The CAS number of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide is 695170-63-9.
What is the molecular formula of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide?
The molecular formula of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide is C13H18BrNO2.
What is the molecular weight of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide?
The molecular weight of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide is 299.05 g/mol.
Where can I buy 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide?
You can request a quote for 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.