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[1-(Bromomethyl)propyl]benzene
TL;DR: [1-(Bromomethyl)propyl]benzene (CAS 34599-51-4) 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-bromobutan-2-ylbenzene
Also Known As: 1-bromobutan-2-ylbenzene, [1-(Bromomethyl)propyl]benzene, (1-Bromobutan-2-yl)benzene, 1-(1-BROMOBUTAN-2-YL)BENZENE, Benzene, [1-(bromomethyl)propyl]-
| Molecular Formula | C10H13Br |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.02007 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 34599-51-4 |
|---|---|
| SMILES | CCC(CBr)C1=CC=CC=C1 |
| InChIKey | DEESSKCTGAJPNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1-(Bromomethyl)propyl]benzene (CAS 34599-51-4), with molecular formula C10H13Br and molecular weight 212.02 g/mol. IUPAC: 1-bromobutan-2-ylbenzene.
Chemical Property Profile of [1-(Bromomethyl)propyl]benzene
Property Insights of [1-(Bromomethyl)propyl]benzene
The XLogP value of 3.6 indicates that [1-(Bromomethyl)propyl]benzene 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-(Bromomethyl)propyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(Bromomethyl)propyl]benzene 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-(Bromomethyl)propyl]benzene?
The CAS number of [1-(Bromomethyl)propyl]benzene is 34599-51-4.
What is the molecular formula of [1-(Bromomethyl)propyl]benzene?
The molecular formula of [1-(Bromomethyl)propyl]benzene is C10H13Br.
What is the molecular weight of [1-(Bromomethyl)propyl]benzene?
The molecular weight of [1-(Bromomethyl)propyl]benzene is 212.02 g/mol.
Where can I buy [1-(Bromomethyl)propyl]benzene?
You can request a quote for [1-(Bromomethyl)propyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(Bromomethyl)propyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [1-(Bromomethyl)propyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.