ChemDiv1_005623
TL;DR: ChemDiv1_005623 (CAS 332019-69-9) is a chemical compound with molecular formula C31H35N3O4 and molecular weight 513.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl)-4-nitro-N-phenylbenzamide
Also Known As: ChemDiv1_005623, BAS 00802110, N-(2-methyl-1-octanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-4-nitro-N-phenylbenzamide, N-(2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl)-4-nitro-N-phenylbenzamide
| Molecular Formula | C31H35N3O4 |
|---|---|
| Molecular Weight | 513.26 g/mol |
| LogP | 7.4686 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.26276 |
| Heavy Atoms | 38 |
| Complexity | 1259.631 |
Chemical Identifiers
| CAS Number | 332019-69-9 |
|---|---|
| SMILES | CCCCCCCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
ChemDiv1_005623 (CAS 332019-69-9), with molecular formula C31H35N3O4 and molecular weight 513.26 g/mol. IUPAC: N-(2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl)-4-nitro-N-phenylbenzamide.
Chemical Property Profile of ChemDiv1_005623
Property Insights of ChemDiv1_005623
The XLogP value of 7.4686 indicates that ChemDiv1_005623 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005623. Following Lipinski's Rule of Five, ChemDiv1_005623 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005623?
The CAS number of ChemDiv1_005623 is 332019-69-9.
What is the molecular formula of ChemDiv1_005623?
The molecular formula of ChemDiv1_005623 is C31H35N3O4.
What is the molecular weight of ChemDiv1_005623?
The molecular weight of ChemDiv1_005623 is 513.26 g/mol.
Where can I buy ChemDiv1_005623?
You can request a quote for ChemDiv1_005623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005623?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.