but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
TL;DR: but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline (CAS 74192-79-3) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
Also Known As: 1,2,3,4-Tetrahydro-2-methyl-8-phenylisoquinoline 2-butenedioate (1:1), 2-METHYL-8-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLINE 2-BUTENEDIOATE, 2-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline 2-butenedioate (1:1), Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-8-phenyl-, 2-butenedioate (1:1)
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.0533 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 752.52057 |
Chemical Identifiers
| CAS Number | 74192-79-3 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O |
Product Overview
but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline (CAS 74192-79-3), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
Property Insights of but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
The XLogP value of 3.0533 indicates that but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline. Following Lipinski's Rule of Five, but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline 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
Frequently Asked Questions
What is the CAS number of but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The CAS number of but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline is 74192-79-3.
What is the molecular formula of but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The molecular formula of but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline is C20H21NO4.
What is the molecular weight of but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The molecular weight of but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline is 339.15 g/mol.
Where can I buy but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
You can request a quote for but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.