Methyl 5-oxotridecanoate
TL;DR: Methyl 5-oxotridecanoate (CAS 689-68-9) is a chemical compound with molecular formula C14H26O3 and molecular weight 242.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-oxotridecanoate
Also Known As: Methyl 5-oxotridecanoate, Methyl5-oxotridecanoate, 5-Oxo-tridecansaeure-methylester, 5-Oxotridecanoic acid methyl ester, RefChem:157704
| Molecular Formula | C14H26O3 |
|---|---|
| Molecular Weight | 242.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.1882 |
| Heavy Atoms | 17 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 689-68-9 |
|---|---|
| SMILES | CCCCCCCCC(=O)CCCC(=O)OC |
| InChIKey | PHDIUDLOLRVDEH-UHFFFAOYSA-N |
Product Overview
Methyl 5-oxotridecanoate (CAS 689-68-9), with molecular formula C14H26O3 and molecular weight 242.19 g/mol. IUPAC: methyl 5-oxotridecanoate.
Chemical Property Profile of Methyl 5-oxotridecanoate
Property Insights of Methyl 5-oxotridecanoate
The XLogP value of 3.6 indicates that Methyl 5-oxotridecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 5-oxotridecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-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 Methyl 5-oxotridecanoate?
The CAS number of Methyl 5-oxotridecanoate is 689-68-9.
What is the molecular formula of Methyl 5-oxotridecanoate?
The molecular formula of Methyl 5-oxotridecanoate is C14H26O3.
What is the molecular weight of Methyl 5-oxotridecanoate?
The molecular weight of Methyl 5-oxotridecanoate is 242.19 g/mol.
Where can I buy Methyl 5-oxotridecanoate?
You can request a quote for Methyl 5-oxotridecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-oxotridecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-oxotridecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.