ChemDiv1_002306
TL;DR: ChemDiv1_002306 (CAS 304449-79-4) is a chemical compound with molecular formula C28H28N2O7 and molecular weight 504.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002306, BAS 01051922, 2-methylpropyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methylpropyl 2-methyl-4-(6-nitro(2H-benzo[d]1,3-dioxolan-5-yl))-5-oxo-7-phen yl-1,4,6,7,8-pentahydroquinoline-3-carboxylate, 2-methylpropyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H28N2O7 |
|---|---|
| Molecular Weight | 504.19 g/mol |
| LogP | 4.8843 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.18964 |
| Heavy Atoms | 37 |
| Complexity | 1343.7994 |
Chemical Identifiers
| CAS Number | 304449-79-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)OCC(C)C |
Product Overview
ChemDiv1_002306 (CAS 304449-79-4), with molecular formula C28H28N2O7 and molecular weight 504.19 g/mol. IUPAC: 2-methylpropyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002306
Property Insights of ChemDiv1_002306
The XLogP value of 4.8843 indicates that ChemDiv1_002306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002306. Following Lipinski's Rule of Five, ChemDiv1_002306 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002306?
The CAS number of ChemDiv1_002306 is 304449-79-4.
What is the molecular formula of ChemDiv1_002306?
The molecular formula of ChemDiv1_002306 is C28H28N2O7.
What is the molecular weight of ChemDiv1_002306?
The molecular weight of ChemDiv1_002306 is 504.19 g/mol.
Where can I buy ChemDiv1_002306?
You can request a quote for ChemDiv1_002306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002306?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.