1,3-Dibromo-5-tert-butylbenzene
TL;DR: 1,3-Dibromo-5-tert-butylbenzene (CAS 129318-31-6) is a chemical compound with molecular formula C10H12Br2 and molecular weight 289.93057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dibromo-5-tert-butylbenzene
Also Known As: 1,3-dibromo-5-tert-butylbenzene, 1,3-Dibromo-5-(tert-butyl)benzene, 3,5-dibromo-tert-butylbenzene, 1,3-Dibromo-5-t-butylbenzene, 1,3-dibromo-5-tert-butyl-benzene
Technical Specifications
| Molecular Formula | C10H12Br2 |
| Molecular Weight | 289.93057 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.93057 Da |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1)Br)Br |
| InChIKey | SSPNOMJZVHXOII-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dibromo-5-tert-butylbenzene
Property Insights of 1,3-Dibromo-5-tert-butylbenzene
The XLogP value of 5.0 indicates that 1,3-Dibromo-5-tert-butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dibromo-5-tert-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibromo-5-tert-butylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Dibromo-5-tert-butylbenzene?
The CAS number of 1,3-Dibromo-5-tert-butylbenzene is 129318-31-6.
What is the molecular formula of 1,3-Dibromo-5-tert-butylbenzene?
The molecular formula of 1,3-Dibromo-5-tert-butylbenzene is C10H12Br2.
What is the molecular weight of 1,3-Dibromo-5-tert-butylbenzene?
The molecular weight of 1,3-Dibromo-5-tert-butylbenzene is 289.93057 g/mol.
Where can I buy 1,3-Dibromo-5-tert-butylbenzene?
You can request a quote for 1,3-Dibromo-5-tert-butylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dibromo-5-tert-butylbenzene?
Yes, CoreyChem provides custom synthesis services for 1,3-Dibromo-5-tert-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.