Dibromothymoquinone
TL;DR: Dibromothymoquinone (CAS 29096-93-3) is a chemical compound with molecular formula C10H10Br2O2 and molecular weight 319.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibromo-3-methyl-6-propan-2-ylcyclohexa-2,5-diene-1,4-dione
Also Known As: DIBROMOTHYMOQUINONE, Dbmib, 2,5-Dibromo-6-isopropyl-3-methyl-1,4-benzoquinone, Dibromothymolquinone, 2,5-Dibromo-3-isopropyl-6-methylbenzoquinone
| Molecular Formula | C10H10Br2O2 |
|---|---|
| Molecular Weight | 319.90 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.9027 |
| Heavy Atoms | 14 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 29096-93-3 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br |
| InChIKey | GHHZELQYJPWSMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibromothymoquinone (CAS 29096-93-3), with molecular formula C10H10Br2O2 and molecular weight 319.90 g/mol. IUPAC: 2,5-dibromo-3-methyl-6-propan-2-ylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Dibromothymoquinone
Property Insights of Dibromothymoquinone
The XLogP value of 3.3 indicates that Dibromothymoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Dibromothymoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibromothymoquinone 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 Dibromothymoquinone?
The CAS number of Dibromothymoquinone is 29096-93-3.
What is the molecular formula of Dibromothymoquinone?
The molecular formula of Dibromothymoquinone is C10H10Br2O2.
What is the molecular weight of Dibromothymoquinone?
The molecular weight of Dibromothymoquinone is 319.90 g/mol.
Where can I buy Dibromothymoquinone?
You can request a quote for Dibromothymoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromothymoquinone?
Yes, KEHONG BIO provides custom synthesis services for Dibromothymoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.