ChemDiv1_005499
TL;DR: ChemDiv1_005499 (CAS 361998-99-4) is a chemical compound with molecular formula C33H31N3O4 and molecular weight 533.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methyl-1-(4-propylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-4-nitro-N-phenylbenzamide
Also Known As: ChemDiv1_005499, N-{2-methyl-1-[(4-propylphenyl)carbonyl]-1,2,3,4-tetrahydroquinolin-4-yl}-4-nitro-N-phenylbenzamide, N-[2-methyl-1-(4-propylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-4-nitro-N-phenylbenzamide, N-(2-methyl-1-(4-propylbenzoyl)-1,2,3,4-tetrahydroquinolin-4-yl)-4-nitro-N-phenylbenzamide, N-[2-methyl-1-(4-propylbenzoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-4-nitro-N-phenylbenzamide
| Molecular Formula | C33H31N3O4 |
|---|---|
| Molecular Weight | 533.23 g/mol |
| LogP | 7.3744 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.23145 |
| Heavy Atoms | 40 |
| Complexity | 1517.8478 |
Chemical Identifiers
| CAS Number | 361998-99-4 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)C(=O)N2C(CC(C3=CC=CC=C32)N(C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C |
Product Overview
ChemDiv1_005499 (CAS 361998-99-4), with molecular formula C33H31N3O4 and molecular weight 533.23 g/mol. IUPAC: N-[2-methyl-1-(4-propylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-4-nitro-N-phenylbenzamide.
Chemical Property Profile of ChemDiv1_005499
Property Insights of ChemDiv1_005499
The XLogP value of 7.3744 indicates that ChemDiv1_005499 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_005499. Following Lipinski's Rule of Five, ChemDiv1_005499 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_005499?
The CAS number of ChemDiv1_005499 is 361998-99-4.
What is the molecular formula of ChemDiv1_005499?
The molecular formula of ChemDiv1_005499 is C33H31N3O4.
What is the molecular weight of ChemDiv1_005499?
The molecular weight of ChemDiv1_005499 is 533.23 g/mol.
Where can I buy ChemDiv1_005499?
You can request a quote for ChemDiv1_005499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005499?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.