ChemDiv1_002054
TL;DR: ChemDiv1_002054 (CAS 313536-90-2) is a chemical compound with molecular formula C32H30N2O7 and molecular weight 554.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-3,4,5-trimethoxy-N-(2-methoxyphenyl)benzamide
Also Known As: ChemDiv1_002054, F0849-2824, N-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-3,4,5-trimethoxy-N-(2-methoxyphenyl)benzamide, N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-3,4,5-trimethoxy-N-(2-methoxyphenyl)benzamide, N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-3,4,5-trimethoxy-N-(2-methoxyphenyl)benzamide
| Molecular Formula | C32H30N2O7 |
|---|---|
| Molecular Weight | 554.21 g/mol |
| LogP | 5.2073 |
| Topological Polar Surface Area | 94.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 554.2053 |
| Heavy Atoms | 41 |
| Complexity | 1572.9266 |
Chemical Identifiers
| CAS Number | 313536-90-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC |
Product Overview
ChemDiv1_002054 (CAS 313536-90-2), with molecular formula C32H30N2O7 and molecular weight 554.21 g/mol. IUPAC: N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-3,4,5-trimethoxy-N-(2-methoxyphenyl)benzamide.
Chemical Property Profile of ChemDiv1_002054
Property Insights of ChemDiv1_002054
The XLogP value of 5.2073 indicates that ChemDiv1_002054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002054. Following Lipinski's Rule of Five, ChemDiv1_002054 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002054?
The CAS number of ChemDiv1_002054 is 313536-90-2.
What is the molecular formula of ChemDiv1_002054?
The molecular formula of ChemDiv1_002054 is C32H30N2O7.
What is the molecular weight of ChemDiv1_002054?
The molecular weight of ChemDiv1_002054 is 554.21 g/mol.
Where can I buy ChemDiv1_002054?
You can request a quote for ChemDiv1_002054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002054?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.