Isoquinolylphenylmethyl 4-methylbenzoate
TL;DR: Isoquinolylphenylmethyl 4-methylbenzoate (CAS 446270-06-0) is a chemical compound with molecular formula C24H19NO2 and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[isoquinolin-1-yl(phenyl)methyl] 4-methylbenzoate
Also Known As: ChemDiv3_007109, isoquinolylphenylmethyl 4-methylbenzoate, IDI1_025019, (isoquinolin-1-yl)(phenyl)methyl 4-methylbenzoate, [isoquinolin-1-yl(phenyl)methyl] 4-methylbenzoate
| Molecular Formula | C24H19NO2 |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 5.48962 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.14157 |
| Heavy Atoms | 27 |
| Complexity | 1066.9978 |
Chemical Identifiers
| CAS Number | 446270-06-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43 |
Product Overview
Isoquinolylphenylmethyl 4-methylbenzoate (CAS 446270-06-0), with molecular formula C24H19NO2 and molecular weight 353.14 g/mol. IUPAC: [isoquinolin-1-yl(phenyl)methyl] 4-methylbenzoate.
Chemical Property Profile of Isoquinolylphenylmethyl 4-methylbenzoate
Property Insights of Isoquinolylphenylmethyl 4-methylbenzoate
The XLogP value of 5.48962 indicates that Isoquinolylphenylmethyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Isoquinolylphenylmethyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolylphenylmethyl 4-methylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinolylphenylmethyl 4-methylbenzoate?
The CAS number of Isoquinolylphenylmethyl 4-methylbenzoate is 446270-06-0.
What is the molecular formula of Isoquinolylphenylmethyl 4-methylbenzoate?
The molecular formula of Isoquinolylphenylmethyl 4-methylbenzoate is C24H19NO2.
What is the molecular weight of Isoquinolylphenylmethyl 4-methylbenzoate?
The molecular weight of Isoquinolylphenylmethyl 4-methylbenzoate is 353.14 g/mol.
Where can I buy Isoquinolylphenylmethyl 4-methylbenzoate?
You can request a quote for Isoquinolylphenylmethyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolylphenylmethyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolylphenylmethyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.