(3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate
TL;DR: (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate (CAS 98991-93-6) is a chemical compound with molecular formula C15H21BrO3 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate
Also Known As: (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate, (3-oxo-2-prop-2-enyl-1-cyclopentenyl)methyl 2-bromo-3,3-dimethyl-butanoate, [3-Oxo-2-(prop-2-en-1-yl)cyclopent-1-en-1-yl]methyl 2-bromo-3,3-dimethylbutanoate
| Molecular Formula | C15H21BrO3 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.0674 |
| Heavy Atoms | 19 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 98991-93-6 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)OCC1=C(C(=O)CC1)CC=C)Br |
| InChIKey | LZLKKEXTUPKDMH-UHFFFAOYSA-N |
Product Overview
(3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate (CAS 98991-93-6), with molecular formula C15H21BrO3 and molecular weight 328.07 g/mol. IUPAC: (3-oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate.
Chemical Property Profile of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate
Property Insights of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate
The XLogP value of 3.4 indicates that (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate 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 (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate?
The CAS number of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate is 98991-93-6.
What is the molecular formula of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate?
The molecular formula of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate is C15H21BrO3.
What is the molecular weight of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate?
The molecular weight of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate is 328.07 g/mol.
Where can I buy (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate?
You can request a quote for (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 2-bromo-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.