4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline
TL;DR: 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline (CAS 801147-95-5) is a chemical compound with molecular formula C9H16BrN and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline
Also Known As: 4a-bromo-decahydroisoquinoline, 4a-Bromodecahydrohydroisoquinoline, 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline
| Molecular Formula | C9H16BrN |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | 2.3036 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.04662 |
| Heavy Atoms | 11 |
| Complexity | 134.49815 |
Chemical Identifiers
| CAS Number | 801147-95-5 |
|---|---|
| SMILES | C1CCC2(CCNCC2C1)Br |
Product Overview
4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline (CAS 801147-95-5), with molecular formula C9H16BrN and molecular weight 217.05 g/mol. IUPAC: 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline.
Chemical Property Profile of 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline
Property Insights of 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline
The XLogP value of 2.3036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline. With a topological polar surface area (TPSA) of 12.03 Ų, 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline has 1 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 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline?
The CAS number of 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline is 801147-95-5.
What is the molecular formula of 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline?
The molecular formula of 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline is C9H16BrN.
What is the molecular weight of 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline?
The molecular weight of 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline is 217.05 g/mol.
Where can I buy 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline?
You can request a quote for 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.