RefChem:463027
TL;DR: RefChem:463027 (CAS 441783-39-7) is a chemical compound with molecular formula C22H19Cl2N3OS and molecular weight 443.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3,5-dichlorophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-1-(3,5-dichlorophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(3,5-DICHLOROPHENYL)-4-(5-ETHYL-2-THIENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(3,5-dichlorophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 648-302-7
| Molecular Formula | C22H19Cl2N3OS |
|---|---|
| Molecular Weight | 443.06 g/mol |
| LogP | 5.92208 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.0626 |
| Heavy Atoms | 29 |
| Complexity | 1089.251 |
Chemical Identifiers
| CAS Number | 441783-39-7 |
|---|---|
| SMILES | CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC(=C4)Cl)Cl)N)C#N |
Product Overview
RefChem:463027 (CAS 441783-39-7), with molecular formula C22H19Cl2N3OS and molecular weight 443.06 g/mol. IUPAC: 2-amino-1-(3,5-dichlorophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463027
Property Insights of RefChem:463027
The XLogP value of 5.92208 indicates that RefChem:463027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:463027. Following Lipinski's Rule of Five, RefChem:463027 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:463027?
The CAS number of RefChem:463027 is 441783-39-7.
What is the molecular formula of RefChem:463027?
The molecular formula of RefChem:463027 is C22H19Cl2N3OS.
What is the molecular weight of RefChem:463027?
The molecular weight of RefChem:463027 is 443.06 g/mol.
Where can I buy RefChem:463027?
You can request a quote for RefChem:463027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463027?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.