2-溴-3,3-二甲基-N-苯基丁酰胺
TL;DR: 2-溴-3,3-二甲基-N-苯基丁酰胺 (CAS 5344-87-6) is a chemical compound with molecular formula C12H16BrNO and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴-3,3-二甲基-N-苯基丁酰胺
2-bromo-3,3-dimethyl-N-phenylbutanamide
Also Known As: Hydrazonodeoxybenzoin, 2-Bromo-3,3-dimethyl-N-phenylbutanamide, 2-BROMO-3,3-DIMETHYLBUTYRANILIDE, Butanamide, 2-bromo-3,3-dimethyl-N-phenyl-, 2-bromo-3,3-dimethyl-butyric acid anilide
| Molecular Formula | C12H16BrNO |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.04153 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5344-87-6 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)NC1=CC=CC=C1)Br |
| InChIKey | FCBRNMLTKNGVTL-UHFFFAOYSA-N |
Product Overview
2-溴-3,3-二甲基-N-苯基丁酰胺 (CAS 5344-87-6), with molecular formula C12H16BrNO and molecular weight 269.04 g/mol. IUPAC: 2-bromo-3,3-dimethyl-N-phenylbutanamide.
Chemical Property Profile of 2-溴-3,3-二甲基-N-苯基丁酰胺
Property Insights of 2-溴-3,3-二甲基-N-苯基丁酰胺
The XLogP value of 3.6 indicates that 2-溴-3,3-二甲基-N-苯基丁酰胺 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-溴-3,3-二甲基-N-苯基丁酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-溴-3,3-二甲基-N-苯基丁酰胺 has 1 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 2-溴-3,3-二甲基-N-苯基丁酰胺?
The CAS number of 2-溴-3,3-二甲基-N-苯基丁酰胺 is 5344-87-6.
What is the molecular formula of 2-溴-3,3-二甲基-N-苯基丁酰胺?
The molecular formula of 2-溴-3,3-二甲基-N-苯基丁酰胺 is C12H16BrNO.
What is the molecular weight of 2-溴-3,3-二甲基-N-苯基丁酰胺?
The molecular weight of 2-溴-3,3-二甲基-N-苯基丁酰胺 is 269.04 g/mol.
Where can I buy 2-溴-3,3-二甲基-N-苯基丁酰胺?
You can request a quote for 2-溴-3,3-二甲基-N-苯基丁酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴-3,3-二甲基-N-苯基丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2-溴-3,3-二甲基-N-苯基丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.