3-Heptylidenepentane-2,4-dione
TL;DR: 3-Heptylidenepentane-2,4-dione (CAS 94134-76-6) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptylidenepentane-2,4-dione
Also Known As: 3-Heptylidenepentane-2,4-dione, EINECS 302-845-3, 3-Heptylidene-2,4-pentanedione, 3-heptylidene-pentane-2,4-dione, 2,4-Pentanedione, 3-heptylidene-
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.0612 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 210.47623 |
Chemical Identifiers
| CAS Number | 94134-76-6 |
|---|---|
| SMILES | CCCCCCC=C(C(=O)C)C(=O)C |
Product Overview
3-Heptylidenepentane-2,4-dione (CAS 94134-76-6), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 3-heptylidenepentane-2,4-dione.
Chemical Property Profile of 3-Heptylidenepentane-2,4-dione
Property Insights of 3-Heptylidenepentane-2,4-dione
The XLogP value of 3.0612 indicates that 3-Heptylidenepentane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 3-Heptylidenepentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptylidenepentane-2,4-dione has 0 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-Heptylidenepentane-2,4-dione?
The CAS number of 3-Heptylidenepentane-2,4-dione is 94134-76-6.
What is the molecular formula of 3-Heptylidenepentane-2,4-dione?
The molecular formula of 3-Heptylidenepentane-2,4-dione is C12H20O2.
What is the molecular weight of 3-Heptylidenepentane-2,4-dione?
The molecular weight of 3-Heptylidenepentane-2,4-dione is 196.15 g/mol.
Where can I buy 3-Heptylidenepentane-2,4-dione?
You can request a quote for 3-Heptylidenepentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptylidenepentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptylidenepentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.