Ethyl 3-oxotridecanoate
TL;DR: Ethyl 3-oxotridecanoate (CAS 74631-91-7) is a chemical compound with molecular formula C15H28O3 and molecular weight 256.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxotridecanoate
Also Known As: Ethyl 3-oxotridecanoate, 3-Oxotridecanoic acid ethyl ester, Tridecanoic acid, 3-oxo-, ethyl ester, J2.288.969I, N/A
| Molecular Formula | C15H28O3 |
|---|---|
| Molecular Weight | 256.20 g/mol |
| LogP | 4.0395 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 256.20386 |
| Heavy Atoms | 18 |
| Complexity | 223.77861 |
Chemical Identifiers
| CAS Number | 74631-91-7 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)CC(=O)OCC |
Product Overview
Ethyl 3-oxotridecanoate (CAS 74631-91-7), with molecular formula C15H28O3 and molecular weight 256.20 g/mol. IUPAC: ethyl 3-oxotridecanoate.
Chemical Property Profile of Ethyl 3-oxotridecanoate
Property Insights of Ethyl 3-oxotridecanoate
The XLogP value of 4.0395 indicates that Ethyl 3-oxotridecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 3-oxotridecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxotridecanoate 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-oxotridecanoate?
The CAS number of Ethyl 3-oxotridecanoate is 74631-91-7.
What is the molecular formula of Ethyl 3-oxotridecanoate?
The molecular formula of Ethyl 3-oxotridecanoate is C15H28O3.
What is the molecular weight of Ethyl 3-oxotridecanoate?
The molecular weight of Ethyl 3-oxotridecanoate is 256.20 g/mol.
Where can I buy Ethyl 3-oxotridecanoate?
You can request a quote for Ethyl 3-oxotridecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxotridecanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxotridecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.