4-(3-Bromopropyl)benzonitrile
TL;DR: 4-(3-Bromopropyl)benzonitrile (CAS 83101-14-8) is a chemical compound with molecular formula C10H10BrN and molecular weight 223.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromopropyl)benzonitrile
Also Known As: 4-(3-bromopropyl)benzonitrile, p-(3-Bromopropyl)benzonitrile, Benzonitrile, 4-(3-bromopropyl)-, 4-(3-bromo-propyl)-benzonitrile, 1-(3-bromopropyl)-4-cyanobenzene
| Molecular Formula | C10H10BrN |
|---|---|
| Molecular Weight | 223.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.99966 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 83101-14-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCBr)C#N |
| InChIKey | GSQHPAQTFSHMPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Bromopropyl)benzonitrile (CAS 83101-14-8), with molecular formula C10H10BrN and molecular weight 223.00 g/mol. IUPAC: 4-(3-bromopropyl)benzonitrile.
Chemical Property Profile of 4-(3-Bromopropyl)benzonitrile
Property Insights of 4-(3-Bromopropyl)benzonitrile
The XLogP value of 3.0 indicates that 4-(3-Bromopropyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4-(3-Bromopropyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Bromopropyl)benzonitrile has 0 hydrogen bond donor(s) and 1 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 4-(3-Bromopropyl)benzonitrile?
The CAS number of 4-(3-Bromopropyl)benzonitrile is 83101-14-8.
What is the molecular formula of 4-(3-Bromopropyl)benzonitrile?
The molecular formula of 4-(3-Bromopropyl)benzonitrile is C10H10BrN.
What is the molecular weight of 4-(3-Bromopropyl)benzonitrile?
The molecular weight of 4-(3-Bromopropyl)benzonitrile is 223.00 g/mol.
Where can I buy 4-(3-Bromopropyl)benzonitrile?
You can request a quote for 4-(3-Bromopropyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Bromopropyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Bromopropyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.