3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl
TL;DR: 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl (CAS 130381-20-3) is a chemical compound with molecular formula C33H47ClN4O3 and molecular weight 582.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl)phenyl]butanamide;hydrochloride
Also Known As: 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl, Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)-, monohydrochloride, 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)butanamide monohydrochloride, Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)-, hydrochloride (1:1), 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl)phenyl]butanamide;hydrochloride
| Molecular Formula | C33H47ClN4O3 |
|---|---|
| Molecular Weight | 582.33 g/mol |
| LogP | 7.4257 |
| Topological Polar Surface Area | 74.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 582.3337 |
| Heavy Atoms | 41 |
| Complexity | 1249.6244 |
Chemical Identifiers
| CAS Number | 130381-20-3 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)CC(=N2)N3CCCC3)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC.Cl |
Product Overview
3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl (CAS 130381-20-3), with molecular formula C33H47ClN4O3 and molecular weight 582.33 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl)phenyl]butanamide;hydrochloride.
Chemical Property Profile of 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl
Property Insights of 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl
The XLogP value of 7.4257 indicates that 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl. Following Lipinski's Rule of Five, 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl?
The CAS number of 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl is 130381-20-3.
What is the molecular formula of 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl?
The molecular formula of 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl is C33H47ClN4O3.
What is the molecular weight of 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl?
The molecular weight of 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl is 582.33 g/mol.
Where can I buy 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl?
You can request a quote for 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Cyclohexadiene-1,2-dione,3,4,6-trimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.