ChemDiv1_019044
TL;DR: ChemDiv1_019044 (CAS 313660-33-2) is a chemical compound with molecular formula C29H24N6O8 and molecular weight 584.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,4-bis(4-methoxyanilino)-3,5-dinitrobenzoyl]-1,3-dihydroquinoxalin-2-one
Also Known As: ChemDiv1_019044, F0014-0919, 4-(2,4-bis((4-methoxyphenyl)amino)-3,5-dinitrobenzoyl)-3,4-dihydroquinoxalin-2(1H)-one, 4-{2,4-bis[(4-methoxyphenyl)amino]-3,5-dinitrobenzoyl}-1,2,3,4-tetrahydroquinoxalin-2-one, 4-[2,4-bis(4-methoxyanilino)-3,5-dinitrobenzoyl]-1,3-dihydroquinoxalin-2-one
| Molecular Formula | C29H24N6O8 |
|---|---|
| Molecular Weight | 584.17 g/mol |
| LogP | 5.6063 |
| Topological Polar Surface Area | 178.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 584.1656 |
| Heavy Atoms | 43 |
| Complexity | 1741.5905 |
Chemical Identifiers
| CAS Number | 313660-33-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=C(C(=C(C=C2C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-])NC5=CC=C(C=C5)OC)[N+](=O)[O-] |
Product Overview
ChemDiv1_019044 (CAS 313660-33-2), with molecular formula C29H24N6O8 and molecular weight 584.17 g/mol. IUPAC: 4-[2,4-bis(4-methoxyanilino)-3,5-dinitrobenzoyl]-1,3-dihydroquinoxalin-2-one.
Chemical Property Profile of ChemDiv1_019044
Property Insights of ChemDiv1_019044
The XLogP value of 5.6063 indicates that ChemDiv1_019044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.21 Ų indicates high polarity, suggesting ChemDiv1_019044 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_019044 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_019044?
The CAS number of ChemDiv1_019044 is 313660-33-2.
What is the molecular formula of ChemDiv1_019044?
The molecular formula of ChemDiv1_019044 is C29H24N6O8.
What is the molecular weight of ChemDiv1_019044?
The molecular weight of ChemDiv1_019044 is 584.17 g/mol.
Where can I buy ChemDiv1_019044?
You can request a quote for ChemDiv1_019044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019044?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.