Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate
TL;DR: Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate (CAS 680214-86-2) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(cyclopropylmethyl)-3-oxohexanoate
Also Known As: ethyl 2-(cyclopropylmethyl)-3-oxohexanoate
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.335 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 213.02173 |
Chemical Identifiers
| CAS Number | 680214-86-2 |
|---|---|
| SMILES | CCCC(=O)C(CC1CC1)C(=O)OCC |
Product Overview
Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate (CAS 680214-86-2), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: ethyl 2-(cyclopropylmethyl)-3-oxohexanoate.
Chemical Property Profile of Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate
Property Insights of Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate
The XLogP value of 2.335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate 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 2-(cyclopropylmethyl)-3-oxohexanoate?
The CAS number of Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate is 680214-86-2.
What is the molecular formula of Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate?
The molecular formula of Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate is C12H20O3.
What is the molecular weight of Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate?
The molecular weight of Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate is 212.14 g/mol.
Where can I buy Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate?
You can request a quote for Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(cyclopropylmethyl)-3-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.