1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline (CAS 335391-43-0) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
Also Known As: BAS 02800962, 1,3-diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline, 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydro-isoquinoline, 5-nitro-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 3.3024 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 510.86707 |
Chemical Identifiers
| CAS Number | 335391-43-0 |
|---|---|
| SMILES | C=CCC1CC2=C(C=CC=C2[N+](=O)[O-])C(N1)CC=C |
Product Overview
1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline (CAS 335391-43-0), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: 5-nitro-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.3024 indicates that 1,3-Diallyl-5-nitro-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 55.17 Ų, 1,3-Diallyl-5-nitro-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-nitro-1,2,3,4-tetrahydroisoquinoline has 1 hydrogen bond donor(s) and 3 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 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline is 335391-43-0.
What is the molecular formula of 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline is C15H18N2O2.
What is the molecular weight of 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline is 258.14 g/mol.
Where can I buy 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1,3-Diallyl-5-nitro-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-nitro-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diallyl-5-nitro-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.