Ibrotamide
TL;DR: Ibrotamide (CAS 5436-98-6) is a chemical compound with molecular formula C7H14BrNO and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-ethyl-3-methylbutanamide
Also Known As: Ibrotamide, ibrotal, Ibrotamida, Ibrotamidum, Ibrotalum
| Molecular Formula | C7H14BrNO |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.02588 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 5436-98-6 |
|---|---|
| SMILES | CCC(C(C)C)(C(=O)N)Br |
| InChIKey | YQZUCYWIGWXZQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ibrotamide (CAS 5436-98-6), with molecular formula C7H14BrNO and molecular weight 207.03 g/mol. IUPAC: 2-bromo-2-ethyl-3-methylbutanamide.
Chemical Property Profile of Ibrotamide
Property Insights of Ibrotamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ibrotamide. With a topological polar surface area (TPSA) of 43.1 Ų, Ibrotamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ibrotamide 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 Ibrotamide?
The CAS number of Ibrotamide is 5436-98-6.
What is the molecular formula of Ibrotamide?
The molecular formula of Ibrotamide is C7H14BrNO.
What is the molecular weight of Ibrotamide?
The molecular weight of Ibrotamide is 207.03 g/mol.
Where can I buy Ibrotamide?
You can request a quote for Ibrotamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ibrotamide?
Yes, KEHONG BIO provides custom synthesis services for Ibrotamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.