ChemDiv1_000100
TL;DR: ChemDiv1_000100 (CAS 317375-84-1) is a chemical compound with molecular formula C31H28N2O6 and molecular weight 524.19 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]-3,5-dimethoxy-N-(3-methoxyphenyl)benzamide
Also Known As: ChemDiv1_000100, F0008-0437, N-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-3,5-dimethoxy-N-(3-methoxyphenyl)benzamide, N-(3-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}propyl)-3,5-dimethoxy-N-(3-methoxyphenyl)benzamide, N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-3,5-dimethoxy-N-(3-methoxyphenyl)benzamide
| Molecular Formula | C31H28N2O6 |
|---|---|
| Molecular Weight | 524.19 g/mol |
| LogP | 5.1987 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 524.19476 |
| Heavy Atoms | 39 |
| Complexity | 1507.906 |
Chemical Identifiers
| CAS Number | 317375-84-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC(=CC(=C5)OC)OC |
Product Overview
ChemDiv1_000100 (CAS 317375-84-1), with molecular formula C31H28N2O6 and molecular weight 524.19 g/mol. IUPAC: N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-3,5-dimethoxy-N-(3-methoxyphenyl)benzamide.
Chemical Property Profile of ChemDiv1_000100
Property Insights of ChemDiv1_000100
The XLogP value of 5.1987 indicates that ChemDiv1_000100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000100. Following Lipinski's Rule of Five, ChemDiv1_000100 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000100?
The CAS number of ChemDiv1_000100 is 317375-84-1.
What is the molecular formula of ChemDiv1_000100?
The molecular formula of ChemDiv1_000100 is C31H28N2O6.
What is the molecular weight of ChemDiv1_000100?
The molecular weight of ChemDiv1_000100 is 524.19 g/mol.
Where can I buy ChemDiv1_000100?
You can request a quote for ChemDiv1_000100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000100?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.