3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione
TL;DR: 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione (CAS 69651-45-2) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione
Also Known As: 3,4-bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione, 2,5-Hexanedione, 3,4-bis[3-hydroxy-3-methyl-2-(1-methylethyl)-1-butenylidene]-, 3,4-bis[3-hydroxy-3-methyl-2-(propan-2-yl)but-1-en-1-ylidene]hexane-2,5-dione, 3,4-Bis(3-hydroxy-2-isopropyl-3-methyl-1-butenylidene)-2,5-hexanedione, 3,4-Bis(3-hydroxy-2-isopropyl-3-methyl-1-butenylidene)-2,5-hexanedione #
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 69651-45-2 |
|---|---|
| SMILES | CC(C)C(=C=C(C(=O)C)C(=C=C(C(C)C)C(C)(C)O)C(=O)C)C(C)(C)O |
| InChIKey | UXNZFOSZKISSPK-UHFFFAOYSA-N |
Product Overview
3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione (CAS 69651-45-2), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: 3,4-bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione.
Chemical Property Profile of 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione
Property Insights of 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione. Following Lipinski's Rule of Five, 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione has 2 hydrogen bond donor(s) and 4 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 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione?
The CAS number of 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione is 69651-45-2.
What is the molecular formula of 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione?
The molecular formula of 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione is C22H34O4.
What is the molecular weight of 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione?
The molecular weight of 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione is 362.25 g/mol.
Where can I buy 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione?
You can request a quote for 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.