VU0047459-1
TL;DR: VU0047459-1 (CAS 445034-55-9) is a chemical compound with molecular formula C24H24F2N4O3 and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
Also Known As: VU0047459-1, 1-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one, 1-{[7-(DIFLUOROMETHYL)-5-(4-METHOXYPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]CARBONYL}OCTAHYDRO-4(1H)-QUINOLINONE, 1-{[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}octahydroquinolin-4(1H)-one
| Molecular Formula | C24H24F2N4O3 |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 4.3163 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.18164 |
| Heavy Atoms | 33 |
| Complexity | 1208.3898 |
Chemical Identifiers
| CAS Number | 445034-55-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCC(=O)C5C4CCCC5 |
Product Overview
VU0047459-1 (CAS 445034-55-9), with molecular formula C24H24F2N4O3 and molecular weight 454.18 g/mol. IUPAC: 1-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one.
Chemical Property Profile of VU0047459-1
Property Insights of VU0047459-1
The XLogP value of 4.3163 indicates that VU0047459-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0047459-1. Following Lipinski's Rule of Five, VU0047459-1 has 0 hydrogen bond donor(s) and 5 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 VU0047459-1?
The CAS number of VU0047459-1 is 445034-55-9.
What is the molecular formula of VU0047459-1?
The molecular formula of VU0047459-1 is C24H24F2N4O3.
What is the molecular weight of VU0047459-1?
The molecular weight of VU0047459-1 is 454.18 g/mol.
Where can I buy VU0047459-1?
You can request a quote for VU0047459-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0047459-1?
Yes, KEHONG BIO provides custom synthesis services for VU0047459-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.