![Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate structure](/static/products/1005/1005056-15-4.webp)
Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
TL;DR: Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate (CAS 1005056-15-4) is a chemical compound with molecular formula C12H17BrO3 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
Also Known As: methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate, AF-399/41823638, methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptanecarboxylate, F1371-0400, methyl 3-bromo-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxylate
| Molecular Formula | C12H17BrO3 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 2.3183 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.0361 |
| Heavy Atoms | 16 |
| Complexity | 376.46017 |
Chemical Identifiers
| CAS Number | 1005056-15-4 |
|---|---|
| SMILES | CC1(C2(CCC1(C(C2=O)Br)C(=O)OC)C)C |
Product Overview
Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate (CAS 1005056-15-4), with molecular formula C12H17BrO3 and molecular weight 288.04 g/mol. IUPAC: methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
Property Insights of Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
The XLogP value of 2.3183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate has 0 hydrogen bond donor(s) and 3 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 Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate?
The CAS number of Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate is 1005056-15-4.
What is the molecular formula of Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate?
The molecular formula of Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate is C12H17BrO3.
What is the molecular weight of Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate?
The molecular weight of Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate is 288.04 g/mol.
Where can I buy Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate?
You can request a quote for Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.