Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate
TL;DR: Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate (CAS 67473-36-3) is a chemical compound with molecular formula C9H13BrO3 and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-bromo-1-methyl-2-oxocyclopentane-1-carboxylate
Also Known As: ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate, ethyl 3-bromo-1-methyl-2-oxocyclopentane-1-carboxylate, Cyclopentanecarboxylicacid, 3-bromo-1-methyl-2-oxo-, ethyl ester
| Molecular Formula | C9H13BrO3 |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.0048 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 67473-36-3 |
|---|---|
| SMILES | CCOC(=O)C1(CCC(C1=O)Br)C |
| InChIKey | MPCAUOHTARGQIA-UHFFFAOYSA-N |
Product Overview
Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate (CAS 67473-36-3), with molecular formula C9H13BrO3 and molecular weight 248.00 g/mol. IUPAC: ethyl 3-bromo-1-methyl-2-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate
Property Insights of Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate 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 Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate?
The CAS number of Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate is 67473-36-3.
What is the molecular formula of Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate?
The molecular formula of Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate is C9H13BrO3.
What is the molecular weight of Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate?
The molecular weight of Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate is 248.00 g/mol.
Where can I buy Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate?
You can request a quote for Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.