ChemDiv1_011244
TL;DR: ChemDiv1_011244 (CAS 311784-17-5) is a chemical compound with molecular formula C24H22BrN3O5 and molecular weight 511.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(4-bromophenyl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_011244, A1498/0065653, ethyl 2-amino-4-(4-bromophenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 2-amino-4-(4-bromophenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 2-amino-4-(4-bromophenyl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C24H22BrN3O5 |
|---|---|
| Molecular Weight | 511.07 g/mol |
| LogP | 4.7016 |
| Topological Polar Surface Area | 115.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.07428 |
| Heavy Atoms | 33 |
| Complexity | 1202.8353 |
Chemical Identifiers
| CAS Number | 311784-17-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)Br)C(=O)CCC2)C4=CC(=CC=C4)[N+](=O)[O-])N |
Product Overview
ChemDiv1_011244 (CAS 311784-17-5), with molecular formula C24H22BrN3O5 and molecular weight 511.07 g/mol. IUPAC: ethyl 2-amino-4-(4-bromophenyl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_011244
Property Insights of ChemDiv1_011244
The XLogP value of 4.7016 indicates that ChemDiv1_011244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011244. Following Lipinski's Rule of Five, ChemDiv1_011244 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_011244?
The CAS number of ChemDiv1_011244 is 311784-17-5.
What is the molecular formula of ChemDiv1_011244?
The molecular formula of ChemDiv1_011244 is C24H22BrN3O5.
What is the molecular weight of ChemDiv1_011244?
The molecular weight of ChemDiv1_011244 is 511.07 g/mol.
Where can I buy ChemDiv1_011244?
You can request a quote for ChemDiv1_011244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011244?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.