5-Methyloxecane-2,7-dione
TL;DR: 5-Methyloxecane-2,7-dione (CAS 13030-94-9) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyloxecane-2,7-dione
Also Known As: 5-methyloxecane-2,7-dione, 4-Methyl-6-ketononanolid, 2,7-Oxecanedione,5-methyl-, RefChem:304299
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 13030-94-9 |
|---|---|
| SMILES | CC1CCC(=O)OCCCC(=O)C1 |
| InChIKey | BBYHXLMEGFYDTP-UHFFFAOYSA-N |
Product Overview
5-Methyloxecane-2,7-dione (CAS 13030-94-9), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: 5-methyloxecane-2,7-dione.
Chemical Property Profile of 5-Methyloxecane-2,7-dione
Property Insights of 5-Methyloxecane-2,7-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyloxecane-2,7-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 5-Methyloxecane-2,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyloxecane-2,7-dione 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 5-Methyloxecane-2,7-dione?
The CAS number of 5-Methyloxecane-2,7-dione is 13030-94-9.
What is the molecular formula of 5-Methyloxecane-2,7-dione?
The molecular formula of 5-Methyloxecane-2,7-dione is C10H16O3.
What is the molecular weight of 5-Methyloxecane-2,7-dione?
The molecular weight of 5-Methyloxecane-2,7-dione is 184.11 g/mol.
Where can I buy 5-Methyloxecane-2,7-dione?
You can request a quote for 5-Methyloxecane-2,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyloxecane-2,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyloxecane-2,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.