2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione
TL;DR: 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione (CAS 33611-72-2) is a chemical compound with molecular formula C14H20Cl2O2 and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-ditert-butyl-5,6-dichlorocyclohex-2-ene-1,4-dione
Also Known As: 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione, 2,5-ditert-butyl-5,6-dichlorocyclohex-2-ene-1,4-dione, 2,5-DI-TERT-BUTYL-5,6-DICHLORO-CYCLOHEX-2-ENE-1,4-DIONE, S14-1261, 2,5-DI-TERT-BUTYL-5,6-DICHLOROCYCLOHEX-2-ENE-1,4-DIONE
| Molecular Formula | C14H20Cl2O2 |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.08405 |
| Heavy Atoms | 18 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 33611-72-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)C(C(C1=O)Cl)(C(C)(C)C)Cl |
| InChIKey | JSACLUOJBWRMBY-UHFFFAOYSA-N |
Product Overview
2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione (CAS 33611-72-2), with molecular formula C14H20Cl2O2 and molecular weight 290.08 g/mol. IUPAC: 2,5-ditert-butyl-5,6-dichlorocyclohex-2-ene-1,4-dione.
Chemical Property Profile of 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione
Property Insights of 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione
The XLogP value of 4.4 indicates that 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-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 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione?
The CAS number of 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione is 33611-72-2.
What is the molecular formula of 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione?
The molecular formula of 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione is C14H20Cl2O2.
What is the molecular weight of 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione?
The molecular weight of 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione is 290.08 g/mol.
Where can I buy 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione?
You can request a quote for 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.