Bromobutide
TL;DR: Bromobutide (CAS 74712-19-9) is a chemical compound with molecular formula C15H22BrNO and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
Also Known As: BROMOBUTIDE, Sumiherb, S 47 (pesticide), 3,7-Decadiene, Bromobutide [ISO:BSI]
| Molecular Formula | C15H22BrNO |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.08847 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 74712-19-9 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)NC(C)(C)C1=CC=CC=C1)Br |
| InChIKey | WZDDLAZXUYIVMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromobutide (CAS 74712-19-9), with molecular formula C15H22BrNO and molecular weight 311.09 g/mol. IUPAC: 2-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide.
Chemical Property Profile of Bromobutide
Property Insights of Bromobutide
The XLogP value of 3.5 indicates that Bromobutide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Bromobutide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromobutide 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 Bromobutide?
The CAS number of Bromobutide is 74712-19-9.
What is the molecular formula of Bromobutide?
The molecular formula of Bromobutide is C15H22BrNO.
What is the molecular weight of Bromobutide?
The molecular weight of Bromobutide is 311.09 g/mol.
Where can I buy Bromobutide?
You can request a quote for Bromobutide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromobutide?
Yes, KEHONG BIO provides custom synthesis services for Bromobutide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.