5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
TL;DR: 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine (CAS 156694-48-3) is a chemical compound with molecular formula C11H16BrN3 and molecular weight 269.05276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
Also Known As: 7,8-Isoquinolinediamine, 5-bromo-2-ethyl-1,2,3,4-tetrahydro-, 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
Technical Specifications
| Molecular Formula | C11H16BrN3 |
| Molecular Weight | 269.05276 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 55.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.05276 Da |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
| SMILES | CCN1CCC2=C(C=C(C(=C2C1)N)N)Br |
| InChIKey | TXYUNUKSJGXVPW-UHFFFAOYSA-N |
Chemical Property Profile of 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
Property Insights of 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine. With a topological polar surface area (TPSA) of 55.3 Ų, 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine?
The CAS number of 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine is 156694-48-3.
What is the molecular formula of 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine?
The molecular formula of 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine is C11H16BrN3.
What is the molecular weight of 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine?
The molecular weight of 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine is 269.05276 g/mol.
Where can I buy 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine?
You can request a quote for 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine?
Yes, CoreyChem provides custom synthesis services for 5-bromo-2-ethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.