2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)-
TL;DR: 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- (CAS 28786-71-2) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-ditert-butylcyclopenta-2,4-dien-1-one
Also Known As: 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)-, 3,4-ditert-butylcyclopenta-2,4-dien-1-one, 2,4-Cyclopentadien-1-one,3,4-bis(1,1-dimethylethyl)-, 3,4-DI-TERT-BUTYLCYCLOPENTA-2,4-DIEN-1-ONE, InChI=1/C13H20O/c1-12(2,3)10-7-9(14)8-11(10)13(4,5)6/h7-8H,1-6H
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 28786-71-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)C=C1C(C)(C)C |
| InChIKey | KQUOINQXMKRUHL-UHFFFAOYSA-N |
Product Overview
2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- (CAS 28786-71-2), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 3,4-ditert-butylcyclopenta-2,4-dien-1-one.
Chemical Property Profile of 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)-
Property Insights of 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)-
The XLogP value of 3.3 indicates that 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 1 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 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)-?
The CAS number of 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- is 28786-71-2.
What is the molecular formula of 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)-?
The molecular formula of 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- is C13H20O.
What is the molecular weight of 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)-?
The molecular weight of 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- is 192.15 g/mol.
Where can I buy 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)-?
You can request a quote for 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Cyclopentadien-1-one, 3,4-bis(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.