RefChem:463129
TL;DR: RefChem:463129 (CAS 311318-11-3) is a chemical compound with molecular formula C24H21BrN4O3 and molecular weight 492.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1232/0056720, 2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(4-bromophenyl)-4-{4-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C24H21BrN4O3 |
|---|---|
| Molecular Weight | 492.08 g/mol |
| LogP | 5.29818 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.0797 |
| Heavy Atoms | 32 |
| Complexity | 1221.3857 |
Chemical Identifiers
| CAS Number | 311318-11-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C |
Product Overview
RefChem:463129 (CAS 311318-11-3), with molecular formula C24H21BrN4O3 and molecular weight 492.08 g/mol. IUPAC: 2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463129
Property Insights of RefChem:463129
The XLogP value of 5.29818 indicates that RefChem:463129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:463129. Following Lipinski's Rule of Five, RefChem:463129 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:463129?
The CAS number of RefChem:463129 is 311318-11-3.
What is the molecular formula of RefChem:463129?
The molecular formula of RefChem:463129 is C24H21BrN4O3.
What is the molecular weight of RefChem:463129?
The molecular weight of RefChem:463129 is 492.08 g/mol.
Where can I buy RefChem:463129?
You can request a quote for RefChem:463129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463129?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.