RefChem:463213
TL;DR: RefChem:463213 (CAS 444924-63-4) is a chemical compound with molecular formula C25H26BrN5O and molecular weight 491.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(5-bromo-2-pyridinyl)-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-1-(5-bromo-2-pyridinyl)-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-Amino-1-(5-bromopyridin-2-yl)-4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-1-(5-bromo-2-pyridinyl)-4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-AMINO-1-(5-BROMO-2-PYRIDYL)-4-[4-(DIMETHYLAMINO)PHENYL]-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(5-bromopyridin-2-yl)-4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C25H26BrN5O |
|---|---|
| Molecular Weight | 491.13 g/mol |
| LogP | 4.85098 |
| Topological Polar Surface Area | 86.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.13208 |
| Heavy Atoms | 32 |
| Complexity | 1170.3081 |
Chemical Identifiers
| CAS Number | 444924-63-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N)C#N)C4=CC=C(C=C4)N(C)C)C(=O)C1)C |
Product Overview
RefChem:463213 (CAS 444924-63-4), with molecular formula C25H26BrN5O and molecular weight 491.13 g/mol. IUPAC: 2-amino-1-(5-bromo-2-pyridinyl)-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463213
Property Insights of RefChem:463213
The XLogP value of 4.85098 indicates that RefChem:463213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.25 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:463213. Following Lipinski's Rule of Five, RefChem:463213 has 1 hydrogen bond donor(s) and 6 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:463213?
The CAS number of RefChem:463213 is 444924-63-4.
What is the molecular formula of RefChem:463213?
The molecular formula of RefChem:463213 is C25H26BrN5O.
What is the molecular weight of RefChem:463213?
The molecular weight of RefChem:463213 is 491.13 g/mol.
Where can I buy RefChem:463213?
You can request a quote for RefChem:463213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463213?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.