ChemDiv3_004417
TL;DR: ChemDiv3_004417 (CAS 448222-78-4) is a chemical compound with molecular formula C21H18N2O and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzo[cd]indol-2-one
Also Known As: ChemDiv3_004417, IDI1_022327, F1217-0218, 2-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-3-one, 1-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)benzo[cd]indol-2(1H)-one
| Molecular Formula | C21H18N2O |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 3.8158 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.1419 |
| Heavy Atoms | 24 |
| Complexity | 957.7149 |
Chemical Identifiers
| CAS Number | 448222-78-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CN3C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
ChemDiv3_004417 (CAS 448222-78-4), with molecular formula C21H18N2O and molecular weight 314.14 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzo[cd]indol-2-one.
Chemical Property Profile of ChemDiv3_004417
Property Insights of ChemDiv3_004417
The XLogP value of 3.8158 indicates that ChemDiv3_004417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, ChemDiv3_004417 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004417 has 0 hydrogen bond donor(s) and 2 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 ChemDiv3_004417?
The CAS number of ChemDiv3_004417 is 448222-78-4.
What is the molecular formula of ChemDiv3_004417?
The molecular formula of ChemDiv3_004417 is C21H18N2O.
What is the molecular weight of ChemDiv3_004417?
The molecular weight of ChemDiv3_004417 is 314.14 g/mol.
Where can I buy ChemDiv3_004417?
You can request a quote for ChemDiv3_004417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004417?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.