(n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate
TL;DR: (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate (CAS 128252-84-6) is a chemical compound with molecular formula C22H25NO6 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-formyl-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl benzoate
Also Known As: (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate, (2-Formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl benzoate, (2-formyl-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl benzoate
| Molecular Formula | C22H25NO6 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.16818 |
| Heavy Atoms | 29 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 128252-84-6 |
|---|---|
| SMILES | CC1=C(C2=C(C(N(CC2)C=O)COC(=O)C3=CC=CC=C3)C(=C1OC)OC)OC |
| InChIKey | LHAJOGJLRDLCGS-UHFFFAOYSA-N |
Product Overview
(n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate (CAS 128252-84-6), with molecular formula C22H25NO6 and molecular weight 399.17 g/mol. IUPAC: (2-formyl-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl benzoate.
Chemical Property Profile of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate
Property Insights of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate
The XLogP value of 3.1 indicates that (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate. Following Lipinski's Rule of Five, (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate has 0 hydrogen bond donor(s) and 6 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 (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate?
The CAS number of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate is 128252-84-6.
What is the molecular formula of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate?
The molecular formula of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate is C22H25NO6.
What is the molecular weight of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate?
The molecular weight of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate is 399.17 g/mol.
Where can I buy (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate?
You can request a quote for (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate?
Yes, KEHONG BIO provides custom synthesis services for (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.