RefChem:464174
TL;DR: RefChem:464174 (CAS 311331-23-4) is a chemical compound with molecular formula C20H15BrN4O3S and molecular weight 470.00 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)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv1_011191, 2-amino-4-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1152/0053878, 2-amino-4-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(5-bromo-2-thienyl)-1-{4-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C20H15BrN4O3S |
|---|---|
| Molecular Weight | 470.00 g/mol |
| LogP | 4.72358 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.00482 |
| Heavy Atoms | 29 |
| Complexity | 1127.3402 |
Chemical Identifiers
| CAS Number | 311331-23-4 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=C(S4)Br)C(=O)C1 |
Product Overview
RefChem:464174 (CAS 311331-23-4), with molecular formula C20H15BrN4O3S and molecular weight 470.00 g/mol. IUPAC: 2-amino-4-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464174
Property Insights of RefChem:464174
The XLogP value of 4.72358 indicates that RefChem:464174 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:464174. Following Lipinski's Rule of Five, RefChem:464174 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:464174?
The CAS number of RefChem:464174 is 311331-23-4.
What is the molecular formula of RefChem:464174?
The molecular formula of RefChem:464174 is C20H15BrN4O3S.
What is the molecular weight of RefChem:464174?
The molecular weight of RefChem:464174 is 470.00 g/mol.
Where can I buy RefChem:464174?
You can request a quote for RefChem:464174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464174?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.