(E)-4-methylhept-3-ene-2,6-dione
TL;DR: (E)-4-methylhept-3-ene-2,6-dione (CAS 20460-57-5) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-methylhept-3-ene-2,6-dione
Also Known As: (E)-4-methylhept-3-ene-2,6-dione, 4-Methyl-3-heptene-2,6-dione, 3-Heptene-2,6-dione, 4-methyl-, 3-Heptene-2,6-dione,4-methyl-, -, 3-Heptene-2,6-dione, 4-methyl-, (3E)- (9CI)
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.5008 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 177.69661 |
Chemical Identifiers
| CAS Number | 20460-57-5 |
|---|---|
| SMILES | C/C(=C\C(=O)C)/CC(=O)C |
Product Overview
(E)-4-methylhept-3-ene-2,6-dione (CAS 20460-57-5), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: (E)-4-methylhept-3-ene-2,6-dione.
Chemical Property Profile of (E)-4-methylhept-3-ene-2,6-dione
Property Insights of (E)-4-methylhept-3-ene-2,6-dione
The XLogP value of 1.5008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-methylhept-3-ene-2,6-dione. With a topological polar surface area (TPSA) of 34.14 Ų, (E)-4-methylhept-3-ene-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-methylhept-3-ene-2,6-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 (E)-4-methylhept-3-ene-2,6-dione?
The CAS number of (E)-4-methylhept-3-ene-2,6-dione is 20460-57-5.
What is the molecular formula of (E)-4-methylhept-3-ene-2,6-dione?
The molecular formula of (E)-4-methylhept-3-ene-2,6-dione is C8H12O2.
What is the molecular weight of (E)-4-methylhept-3-ene-2,6-dione?
The molecular weight of (E)-4-methylhept-3-ene-2,6-dione is 140.08 g/mol.
Where can I buy (E)-4-methylhept-3-ene-2,6-dione?
You can request a quote for (E)-4-methylhept-3-ene-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-methylhept-3-ene-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-methylhept-3-ene-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.