RefChem:462988
TL;DR: RefChem:462988 (CAS 441783-02-4) is a chemical compound with molecular formula C24H23ClN4O3S and molecular weight 482.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(2-chloro-4-nitrophenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-1-(2-chloro-4-nitrophenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(2-CHLORO-4-NITROPHENYL)-4-(5-ETHYL-2-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(2-chloro-4-nitrophenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 648-316-3
| Molecular Formula | C24H23ClN4O3S |
|---|---|
| Molecular Weight | 482.12 g/mol |
| LogP | 5.81298 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.11795 |
| Heavy Atoms | 33 |
| Complexity | 1284.863 |
Chemical Identifiers
| CAS Number | 441783-02-4 |
|---|---|
| SMILES | CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N)C#N |
Product Overview
RefChem:462988 (CAS 441783-02-4), with molecular formula C24H23ClN4O3S and molecular weight 482.12 g/mol. IUPAC: 2-amino-1-(2-chloro-4-nitrophenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:462988
Property Insights of RefChem:462988
The XLogP value of 5.81298 indicates that RefChem:462988 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:462988. Following Lipinski's Rule of Five, RefChem:462988 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:462988?
The CAS number of RefChem:462988 is 441783-02-4.
What is the molecular formula of RefChem:462988?
The molecular formula of RefChem:462988 is C24H23ClN4O3S.
What is the molecular weight of RefChem:462988?
The molecular weight of RefChem:462988 is 482.12 g/mol.
Where can I buy RefChem:462988?
You can request a quote for RefChem:462988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:462988?
Yes, KEHONG BIO provides custom synthesis services for RefChem:462988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.