3-(2-Bromophenyl)octahydroindolizine
TL;DR: 3-(2-Bromophenyl)octahydroindolizine (CAS 103729-18-6) is a chemical compound with molecular formula C14H18BrN and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,8aR)-3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
Also Known As: Mcn 5195, 3-(2-Bromophenyl)octahydroindolizine, Rwj 22757, (-)-RWJ-22757, (3R,8aR)-3-(2-Bromophenyl)octahydroindolizine
| Molecular Formula | C14H18BrN |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.06226 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 103729-18-6 |
|---|---|
| SMILES | C1CCN2[C@H](C1)CC[C@@H]2C3=CC=CC=C3Br |
| InChIKey | NYBDMYWOGLTJBP-BXUZGUMPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Bromophenyl)octahydroindolizine (CAS 103729-18-6), with molecular formula C14H18BrN and molecular weight 279.06 g/mol. IUPAC: (3R,8aR)-3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
Chemical Property Profile of 3-(2-Bromophenyl)octahydroindolizine
Property Insights of 3-(2-Bromophenyl)octahydroindolizine
The XLogP value of 3.9 indicates that 3-(2-Bromophenyl)octahydroindolizine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 3-(2-Bromophenyl)octahydroindolizine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Bromophenyl)octahydroindolizine 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 3-(2-Bromophenyl)octahydroindolizine?
The CAS number of 3-(2-Bromophenyl)octahydroindolizine is 103729-18-6.
What is the molecular formula of 3-(2-Bromophenyl)octahydroindolizine?
The molecular formula of 3-(2-Bromophenyl)octahydroindolizine is C14H18BrN.
What is the molecular weight of 3-(2-Bromophenyl)octahydroindolizine?
The molecular weight of 3-(2-Bromophenyl)octahydroindolizine is 279.06 g/mol.
Where can I buy 3-(2-Bromophenyl)octahydroindolizine?
You can request a quote for 3-(2-Bromophenyl)octahydroindolizine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromophenyl)octahydroindolizine?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromophenyl)octahydroindolizine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.