Cyclopropylmethyl 3-oxobutanoate
TL;DR: Cyclopropylmethyl 3-oxobutanoate (CAS 86780-84-9) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopropylmethyl 3-oxobutanoate
Also Known As: Cyclopropylmethyl 3-oxobutanoate, cyclopropylmethyl acetoacetate, Butanoic acid,3-oxo-,cyclopropylmethyl ester, Butanoic acid, 3-oxo-, cyclopropylmethyl ester
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.9187 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 170.17598 |
Chemical Identifiers
| CAS Number | 86780-84-9 |
|---|---|
| SMILES | CC(=O)CC(=O)OCC1CC1 |
Product Overview
Cyclopropylmethyl 3-oxobutanoate (CAS 86780-84-9), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: cyclopropylmethyl 3-oxobutanoate.
Chemical Property Profile of Cyclopropylmethyl 3-oxobutanoate
Property Insights of Cyclopropylmethyl 3-oxobutanoate
The XLogP value of 0.9187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropylmethyl 3-oxobutanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Cyclopropylmethyl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropylmethyl 3-oxobutanoate 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 Cyclopropylmethyl 3-oxobutanoate?
The CAS number of Cyclopropylmethyl 3-oxobutanoate is 86780-84-9.
What is the molecular formula of Cyclopropylmethyl 3-oxobutanoate?
The molecular formula of Cyclopropylmethyl 3-oxobutanoate is C8H12O3.
What is the molecular weight of Cyclopropylmethyl 3-oxobutanoate?
The molecular weight of Cyclopropylmethyl 3-oxobutanoate is 156.08 g/mol.
Where can I buy Cyclopropylmethyl 3-oxobutanoate?
You can request a quote for Cyclopropylmethyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropylmethyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropylmethyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.