Methyl 2-butyl-3-oxocyclopentanecarboxylate
TL;DR: Methyl 2-butyl-3-oxocyclopentanecarboxylate (CAS 37172-61-5) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-butyl-3-oxocyclopentane-1-carboxylate
Also Known As: Methyl 2-butyl-3-oxocyclopentanecarboxylate, EINECS 253-381-2, methyl 2-butyl-3-oxocyclopentane-1-carboxylate, methyl2-butyl-3-oxocyclopentanecarboxylate, methyl 2-butyl-3-oxo-cyclopentane-1-carboxylate
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 1.9449 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 222.57254 |
Chemical Identifiers
| CAS Number | 37172-61-5 |
|---|---|
| SMILES | CCCCC1C(CCC1=O)C(=O)OC |
Product Overview
Methyl 2-butyl-3-oxocyclopentanecarboxylate (CAS 37172-61-5), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: methyl 2-butyl-3-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Methyl 2-butyl-3-oxocyclopentanecarboxylate
Property Insights of Methyl 2-butyl-3-oxocyclopentanecarboxylate
The XLogP value of 1.9449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-butyl-3-oxocyclopentanecarboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2-butyl-3-oxocyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-butyl-3-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 Methyl 2-butyl-3-oxocyclopentanecarboxylate?
The CAS number of Methyl 2-butyl-3-oxocyclopentanecarboxylate is 37172-61-5.
What is the molecular formula of Methyl 2-butyl-3-oxocyclopentanecarboxylate?
The molecular formula of Methyl 2-butyl-3-oxocyclopentanecarboxylate is C11H18O3.
What is the molecular weight of Methyl 2-butyl-3-oxocyclopentanecarboxylate?
The molecular weight of Methyl 2-butyl-3-oxocyclopentanecarboxylate is 198.13 g/mol.
Where can I buy Methyl 2-butyl-3-oxocyclopentanecarboxylate?
You can request a quote for Methyl 2-butyl-3-oxocyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-butyl-3-oxocyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-butyl-3-oxocyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.