2-Bromo-4-methyl-1-isopropylbenzene
TL;DR: 2-Bromo-4-methyl-1-isopropylbenzene (CAS 4478-10-8) 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.
2-bromo-4-methyl-1-propan-2-ylbenzene
Also Known As: 2-Bromo-p-cymene, Thymyl bromide, p-Cymene, 3-bromo-, 3-Bromo-p-cymene, Benzene, 2-bromo-4-methyl-1-(1-methylethyl)-
| 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 | 120.0 |
Chemical Identifiers
| CAS Number | 4478-10-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)Br |
| InChIKey | XMIWWDSQSRUTKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-methyl-1-isopropylbenzene (CAS 4478-10-8), with molecular formula C10H13Br and molecular weight 212.02 g/mol. IUPAC: 2-bromo-4-methyl-1-propan-2-ylbenzene.
Chemical Property Profile of 2-Bromo-4-methyl-1-isopropylbenzene
Property Insights of 2-Bromo-4-methyl-1-isopropylbenzene
The XLogP value of 4.3 indicates that 2-Bromo-4-methyl-1-isopropylbenzene 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-Bromo-4-methyl-1-isopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-methyl-1-isopropylbenzene 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 2-Bromo-4-methyl-1-isopropylbenzene?
The CAS number of 2-Bromo-4-methyl-1-isopropylbenzene is 4478-10-8.
What is the molecular formula of 2-Bromo-4-methyl-1-isopropylbenzene?
The molecular formula of 2-Bromo-4-methyl-1-isopropylbenzene is C10H13Br.
What is the molecular weight of 2-Bromo-4-methyl-1-isopropylbenzene?
The molecular weight of 2-Bromo-4-methyl-1-isopropylbenzene is 212.02 g/mol.
Where can I buy 2-Bromo-4-methyl-1-isopropylbenzene?
You can request a quote for 2-Bromo-4-methyl-1-isopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-methyl-1-isopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-methyl-1-isopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.