3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene
TL;DR: 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene (CAS 216853-60-0) is a chemical compound with molecular formula C12H14BrNS and molecular weight 283.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromothiophen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
Also Known As: NS 3861, HY-110121A, 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene, 3-(3-Bromo-2-thienyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene, 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene
| Molecular Formula | C12H14BrNS |
|---|---|
| Molecular Weight | 283.00 g/mol |
| LogP | 3.7605 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.00302 |
| Heavy Atoms | 15 |
| Complexity | 409.50955 |
Chemical Identifiers
| CAS Number | 216853-60-0 |
|---|---|
| SMILES | CN1C2CCC1C=C(C2)C3=C(C=CS3)Br |
Product Overview
3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene (CAS 216853-60-0), with molecular formula C12H14BrNS and molecular weight 283.00 g/mol. IUPAC: 3-(3-bromothiophen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
Chemical Property Profile of 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene
Property Insights of 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene
The XLogP value of 3.7605 indicates that 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene has 0 hydrogen bond donor(s) and 2 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-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene?
The CAS number of 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene is 216853-60-0.
What is the molecular formula of 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene?
The molecular formula of 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene is C12H14BrNS.
What is the molecular weight of 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene?
The molecular weight of 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene is 283.00 g/mol.
Where can I buy 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene?
You can request a quote for 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.