RefChem:464177
TL;DR: RefChem:464177 (CAS 311323-41-8) is a chemical compound with molecular formula C22H19BrN4O3S and molecular weight 498.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: Salor-int l221341-1ea, 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1267/0057965, 2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C22H19BrN4O3S |
|---|---|
| Molecular Weight | 498.04 g/mol |
| LogP | 5.35968 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.03613 |
| Heavy Atoms | 31 |
| Complexity | 1204.0895 |
Chemical Identifiers
| CAS Number | 311323-41-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=C(S4)Br)C(=O)C1)C |
Product Overview
RefChem:464177 (CAS 311323-41-8), with molecular formula C22H19BrN4O3S and molecular weight 498.04 g/mol. IUPAC: 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464177
Property Insights of RefChem:464177
The XLogP value of 5.35968 indicates that RefChem:464177 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:464177. Following Lipinski's Rule of Five, RefChem:464177 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 RefChem:464177?
The CAS number of RefChem:464177 is 311323-41-8.
What is the molecular formula of RefChem:464177?
The molecular formula of RefChem:464177 is C22H19BrN4O3S.
What is the molecular weight of RefChem:464177?
The molecular weight of RefChem:464177 is 498.04 g/mol.
Where can I buy RefChem:464177?
You can request a quote for RefChem:464177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464177?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.