2,4,6-Tri-t-butyl-1-bromobenzene
TL;DR: 2,4,6-Tri-t-butyl-1-bromobenzene (CAS 3975-77-7) is a chemical compound with molecular formula C18H29Br and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,3,5-tritert-butylbenzene
Also Known As: 2-Bromo-1,3,5-tri-tert-butylbenzene, 2,4,6-Tri-tert-butylbromobenzene, 1-Bromo-2,4,6-tri-tert-butylbenzene, 2-bromo-1,3,5-tritert-butylbenzene, Maybridge1_002617
| Molecular Formula | C18H29Br |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.14526 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 3975-77-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)Br)C(C)(C)C |
| InChIKey | JOKZWHPYNRDCOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Tri-t-butyl-1-bromobenzene (CAS 3975-77-7), with molecular formula C18H29Br and molecular weight 324.15 g/mol. IUPAC: 2-bromo-1,3,5-tritert-butylbenzene.
Chemical Property Profile of 2,4,6-Tri-t-butyl-1-bromobenzene
Property Insights of 2,4,6-Tri-t-butyl-1-bromobenzene
The XLogP value of 7.6 indicates that 2,4,6-Tri-t-butyl-1-bromobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4,6-Tri-t-butyl-1-bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tri-t-butyl-1-bromobenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Tri-t-butyl-1-bromobenzene?
The CAS number of 2,4,6-Tri-t-butyl-1-bromobenzene is 3975-77-7.
What is the molecular formula of 2,4,6-Tri-t-butyl-1-bromobenzene?
The molecular formula of 2,4,6-Tri-t-butyl-1-bromobenzene is C18H29Br.
What is the molecular weight of 2,4,6-Tri-t-butyl-1-bromobenzene?
The molecular weight of 2,4,6-Tri-t-butyl-1-bromobenzene is 324.15 g/mol.
Where can I buy 2,4,6-Tri-t-butyl-1-bromobenzene?
You can request a quote for 2,4,6-Tri-t-butyl-1-bromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tri-t-butyl-1-bromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tri-t-butyl-1-bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.