3-Isopropenyl-6-oxoheptanoic acid
TL;DR: 3-Isopropenyl-6-oxoheptanoic acid (CAS 4436-82-2) 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.
6-oxo-3-prop-1-en-2-ylheptanoic acid
Also Known As: limononic acid, 3-Isopropenyl-6-oxoheptanoic acid, FEMA No. 4461, Heptanoic acid, 3-isopropenyl-6-oxo-, 6-oxo-3-prop-1-en-2-ylheptanoic acid
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 2.0226 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 218.20975 |
Chemical Identifiers
| CAS Number | 4436-82-2 |
|---|---|
| SMILES | CC(=C)C(CCC(=O)C)CC(=O)O |
Product Overview
3-Isopropenyl-6-oxoheptanoic acid (CAS 4436-82-2), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: 6-oxo-3-prop-1-en-2-ylheptanoic acid.
Chemical Property Profile of 3-Isopropenyl-6-oxoheptanoic acid
Property Insights of 3-Isopropenyl-6-oxoheptanoic acid
The XLogP value of 2.0226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropenyl-6-oxoheptanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Isopropenyl-6-oxoheptanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropenyl-6-oxoheptanoic acid has 1 hydrogen bond donor(s) and 2 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 3-Isopropenyl-6-oxoheptanoic acid?
The CAS number of 3-Isopropenyl-6-oxoheptanoic acid is 4436-82-2.
What is the molecular formula of 3-Isopropenyl-6-oxoheptanoic acid?
The molecular formula of 3-Isopropenyl-6-oxoheptanoic acid is C10H16O3.
What is the molecular weight of 3-Isopropenyl-6-oxoheptanoic acid?
The molecular weight of 3-Isopropenyl-6-oxoheptanoic acid is 184.11 g/mol.
Where can I buy 3-Isopropenyl-6-oxoheptanoic acid?
You can request a quote for 3-Isopropenyl-6-oxoheptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropenyl-6-oxoheptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropenyl-6-oxoheptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.