RefChem:464829
TL;DR: RefChem:464829 (CAS 339336-51-5) is a chemical compound with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: A1351/0061012, 2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-7,7-dimethyl-4-(3-methyl-2-thienyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 648-259-4
| Molecular Formula | C23H22N4O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 4.9056 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.14127 |
| Heavy Atoms | 31 |
| Complexity | 1215.405 |
Chemical Identifiers
| CAS Number | 339336-51-5 |
|---|---|
| SMILES | CC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N |
Product Overview
RefChem:464829 (CAS 339336-51-5), with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol. IUPAC: 2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464829
Property Insights of RefChem:464829
The XLogP value of 4.9056 indicates that RefChem:464829 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:464829. Following Lipinski's Rule of Five, RefChem:464829 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:464829?
The CAS number of RefChem:464829 is 339336-51-5.
What is the molecular formula of RefChem:464829?
The molecular formula of RefChem:464829 is C23H22N4O3S.
What is the molecular weight of RefChem:464829?
The molecular weight of RefChem:464829 is 434.14 g/mol.
Where can I buy RefChem:464829?
You can request a quote for RefChem:464829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464829?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.