RefChem:513680
TL;DR: RefChem:513680 (CAS 476483-63-3) is a chemical compound with molecular formula C27H27N3O2 and molecular weight 425.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 4-(4-(Allyloxy)phenyl)-2-amino-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-[4-(allyloxy)phenyl]-2-amino-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile, 4-(4-(Allyloxy)phenyl)-2-amino-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 648-130-2
| Molecular Formula | C27H27N3O2 |
|---|---|
| Molecular Weight | 425.21 g/mol |
| LogP | 5.19228 |
| Topological Polar Surface Area | 79.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.21033 |
| Heavy Atoms | 32 |
| Complexity | 1151.6377 |
Chemical Identifiers
| CAS Number | 476483-63-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=C(C=C4)OCC=C)C(=O)C1)C |
Product Overview
RefChem:513680 (CAS 476483-63-3), with molecular formula C27H27N3O2 and molecular weight 425.21 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:513680
Property Insights of RefChem:513680
The XLogP value of 5.19228 indicates that RefChem:513680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.35 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513680. Following Lipinski's Rule of Five, RefChem:513680 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:513680?
The CAS number of RefChem:513680 is 476483-63-3.
What is the molecular formula of RefChem:513680?
The molecular formula of RefChem:513680 is C27H27N3O2.
What is the molecular weight of RefChem:513680?
The molecular weight of RefChem:513680 is 425.21 g/mol.
Where can I buy RefChem:513680?
You can request a quote for RefChem:513680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513680?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.