Benzene, 2-bromo-1,3,5-triethyl-
TL;DR: Benzene, 2-bromo-1,3,5-triethyl- (CAS 91-06-5) is a chemical compound with molecular formula C12H17Br and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,3,5-triethylbenzene
Also Known As: 2-Bromo-1,3,5-triethylbenzene, 1-Bromo-2,4,6-triethylbenzene, Benzene, 2-bromo-1,3,5-triethyl-, 1,3,5-triethylbromobenzene, 1,3,5-Triethyl-2-bromobenzene
| Molecular Formula | C12H17Br |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.05136 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 91-06-5 |
|---|---|
| SMILES | CCC1=CC(=C(C(=C1)CC)Br)CC |
| InChIKey | GYPGUOPEQLYKQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2-bromo-1,3,5-triethyl- (CAS 91-06-5), with molecular formula C12H17Br and molecular weight 240.05 g/mol. IUPAC: 2-bromo-1,3,5-triethylbenzene.
Chemical Property Profile of Benzene, 2-bromo-1,3,5-triethyl-
Property Insights of Benzene, 2-bromo-1,3,5-triethyl-
The XLogP value of 5.0 indicates that Benzene, 2-bromo-1,3,5-triethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 2-bromo-1,3,5-triethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-bromo-1,3,5-triethyl- 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 Benzene, 2-bromo-1,3,5-triethyl-?
The CAS number of Benzene, 2-bromo-1,3,5-triethyl- is 91-06-5.
What is the molecular formula of Benzene, 2-bromo-1,3,5-triethyl-?
The molecular formula of Benzene, 2-bromo-1,3,5-triethyl- is C12H17Br.
What is the molecular weight of Benzene, 2-bromo-1,3,5-triethyl-?
The molecular weight of Benzene, 2-bromo-1,3,5-triethyl- is 240.05 g/mol.
Where can I buy Benzene, 2-bromo-1,3,5-triethyl-?
You can request a quote for Benzene, 2-bromo-1,3,5-triethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-bromo-1,3,5-triethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-bromo-1,3,5-triethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.