ChemDiv1_000056
TL;DR: ChemDiv1_000056 (CAS 313501-00-7) is a chemical compound with molecular formula C27H28N2O4 and molecular weight 444.20 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]-N-(2-methoxyphenyl)-2,2-dimethylpropanamide
Also Known As: ChemDiv1_000056, F0008-0385, 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)-N-(2-methoxyphenyl)-2,2-dimethylpropanamide, N-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-N-(2-methoxyphenyl)pivalamide, N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(2-methoxyphenyl)-2,2-dimethylpropanamide
| Molecular Formula | C27H28N2O4 |
|---|---|
| Molecular Weight | 444.20 g/mol |
| LogP | 4.9138 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.2049 |
| Heavy Atoms | 33 |
| Complexity | 1191.5951 |
Chemical Identifiers
| CAS Number | 313501-00-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)N(CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)C4=CC=CC=C4OC |
Product Overview
ChemDiv1_000056 (CAS 313501-00-7), with molecular formula C27H28N2O4 and molecular weight 444.20 g/mol. IUPAC: N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(2-methoxyphenyl)-2,2-dimethylpropanamide.
Chemical Property Profile of ChemDiv1_000056
Property Insights of ChemDiv1_000056
The XLogP value of 4.9138 indicates that ChemDiv1_000056 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000056. Following Lipinski's Rule of Five, ChemDiv1_000056 has 0 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 ChemDiv1_000056?
The CAS number of ChemDiv1_000056 is 313501-00-7.
What is the molecular formula of ChemDiv1_000056?
The molecular formula of ChemDiv1_000056 is C27H28N2O4.
What is the molecular weight of ChemDiv1_000056?
The molecular weight of ChemDiv1_000056 is 444.20 g/mol.
Where can I buy ChemDiv1_000056?
You can request a quote for ChemDiv1_000056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000056?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.