ChemDiv2_005576
TL;DR: ChemDiv2_005576 (CAS 442889-08-9) is a chemical compound with molecular formula C23H21N3O3 and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-methyl-1-oxo-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
Also Known As: ChemDiv2_005576, IDI1_004291, 3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3-(4-methoxyphenyl)-2-methyl-1-oxo-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
| Molecular Formula | C23H21N3O3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 3.6394 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.1583 |
| Heavy Atoms | 29 |
| Complexity | 1034.7484 |
Chemical Identifiers
| CAS Number | 442889-08-9 |
|---|---|
| SMILES | CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=CC=N3)C4=CC=C(C=C4)OC |
Product Overview
ChemDiv2_005576 (CAS 442889-08-9), with molecular formula C23H21N3O3 and molecular weight 387.16 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-methyl-1-oxo-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide.
Chemical Property Profile of ChemDiv2_005576
Property Insights of ChemDiv2_005576
The XLogP value of 3.6394 indicates that ChemDiv2_005576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005576. Following Lipinski's Rule of Five, ChemDiv2_005576 has 1 hydrogen bond donor(s) and 4 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 ChemDiv2_005576?
The CAS number of ChemDiv2_005576 is 442889-08-9.
What is the molecular formula of ChemDiv2_005576?
The molecular formula of ChemDiv2_005576 is C23H21N3O3.
What is the molecular weight of ChemDiv2_005576?
The molecular weight of ChemDiv2_005576 is 387.16 g/mol.
Where can I buy ChemDiv2_005576?
You can request a quote for ChemDiv2_005576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005576?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.