1-Bromo-4-propylbenzene
TL;DR: 1-Bromo-4-propylbenzene (CAS 588-93-2) is a chemical compound with molecular formula CCCC1=CC=C(C=C1)Br and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-propylbenzene
Also Known As: 1-Bromo-4-propylbenzene, 4-bromo-n-propylbenzene, p-bromopropylbenzene, 1-bromo-4-n-propylbenzene, 4-propyl bromobenzene
| Molecular Formula | CCCC1=CC=C(C=C1)Br |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.00441 |
| Heavy Atoms | 10 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 588-93-2 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)Br |
| InChIKey | NUPWGLKBGVNSJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-propylbenzene (CAS 588-93-2), with molecular formula CCCC1=CC=C(C=C1)Br and molecular weight 198.00 g/mol. IUPAC: 1-bromo-4-propylbenzene.
Chemical Property Profile of 1-Bromo-4-propylbenzene
Property Insights of 1-Bromo-4-propylbenzene
The XLogP value of 4.2 indicates that 1-Bromo-4-propylbenzene 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-4-propylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-propylbenzene 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-4-propylbenzene?
The CAS number of 1-Bromo-4-propylbenzene is 588-93-2.
What is the molecular formula of 1-Bromo-4-propylbenzene?
The molecular formula of 1-Bromo-4-propylbenzene is CCCC1=CC=C(C=C1)Br.
What is the molecular weight of 1-Bromo-4-propylbenzene?
The molecular weight of 1-Bromo-4-propylbenzene is 198.00 g/mol.
Where can I buy 1-Bromo-4-propylbenzene?
You can request a quote for 1-Bromo-4-propylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-propylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-propylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.