1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline (CAS 496882-74-7) is a chemical compound with molecular formula C15H16Br3N and molecular weight 446.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7,8-tribromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
Also Known As: 1,3-diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline, F3145-1574, 5,7,8-tribromo-1,3-diprop-2-enyl-1,2,3,4-tetrahydroisoquinoline, 5,7,8-tribromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C15H16Br3N |
|---|---|
| Molecular Weight | 446.88 g/mol |
| LogP | 5.6817 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.8833 |
| Heavy Atoms | 19 |
| Complexity | 510.60242 |
Chemical Identifiers
| CAS Number | 496882-74-7 |
|---|---|
| SMILES | C=CCC1CC2=C(C(N1)CC=C)C(=C(C=C2Br)Br)Br |
Product Overview
1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline (CAS 496882-74-7), with molecular formula C15H16Br3N and molecular weight 446.88 g/mol. IUPAC: 5,7,8-tribromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 5.6817 indicates that 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline is 496882-74-7.
What is the molecular formula of 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline is C15H16Br3N.
What is the molecular weight of 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline is 446.88 g/mol.
Where can I buy 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diallyl-5,7,8-tribromo-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.