1-Bromo-3-tert-butylbenzene
TL;DR: 1-Bromo-3-tert-butylbenzene (CAS 3972-64-3) is a chemical compound with molecular formula C10H13Br and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-tert-butylbenzene
Also Known As: 1-Bromo-3-tert-butylbenzene, 1-Bromo-3-(tert-butyl)benzene, 3-tert-butylbromobenzene, 3-(tert-butyl)bromobenzene, 3-t-butyl bromobenzene
| Molecular Formula | C10H13Br |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.02007 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 3972-64-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC=C1)Br |
| InChIKey | FDXXHPYFJDKWJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-3-tert-butylbenzene (CAS 3972-64-3), with molecular formula C10H13Br and molecular weight 212.02 g/mol. IUPAC: 1-bromo-3-tert-butylbenzene.
Chemical Property Profile of 1-Bromo-3-tert-butylbenzene
Property Insights of 1-Bromo-3-tert-butylbenzene
The XLogP value of 4.3 indicates that 1-Bromo-3-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-Bromo-3-tert-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-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
Frequently Asked Questions
What is the CAS number of 1-Bromo-3-tert-butylbenzene?
The CAS number of 1-Bromo-3-tert-butylbenzene is 3972-64-3.
What is the molecular formula of 1-Bromo-3-tert-butylbenzene?
The molecular formula of 1-Bromo-3-tert-butylbenzene is C10H13Br.
What is the molecular weight of 1-Bromo-3-tert-butylbenzene?
The molecular weight of 1-Bromo-3-tert-butylbenzene is 212.02 g/mol.
Where can I buy 1-Bromo-3-tert-butylbenzene?
You can request a quote for 1-Bromo-3-tert-butylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3-tert-butylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-tert-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.