RefChem:463139
TL;DR: RefChem:463139 (CAS 441782-98-5) is a chemical compound with molecular formula C24H24ClN3OS and molecular weight 437.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-chlorophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-1-(4-chlorophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(4-CHLOROPHENYL)-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(4-chlorophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 647-860-9, RefChem:463139
| Molecular Formula | C24H24ClN3OS |
|---|---|
| Molecular Weight | 437.13 g/mol |
| LogP | 5.95922 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.13287 |
| Heavy Atoms | 30 |
| Complexity | 1148.104 |
Chemical Identifiers
| CAS Number | 441782-98-5 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)Cl)N)C#N |
Product Overview
RefChem:463139 (CAS 441782-98-5), with molecular formula C24H24ClN3OS and molecular weight 437.13 g/mol. IUPAC: 2-amino-1-(4-chlorophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463139
Property Insights of RefChem:463139
The XLogP value of 5.95922 indicates that RefChem:463139 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:463139. Following Lipinski's Rule of Five, RefChem:463139 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:463139?
The CAS number of RefChem:463139 is 441782-98-5.
What is the molecular formula of RefChem:463139?
The molecular formula of RefChem:463139 is C24H24ClN3OS.
What is the molecular weight of RefChem:463139?
The molecular weight of RefChem:463139 is 437.13 g/mol.
Where can I buy RefChem:463139?
You can request a quote for RefChem:463139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463139?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.