VU0061047-1
TL;DR: VU0061047-1 (CAS 406182-85-2) is a chemical compound with molecular formula C31H29FN2O3 and molecular weight 496.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: VU0061047-1, N-(3-Fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide, 648-507-1, N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
| Molecular Formula | C31H29FN2O3 |
|---|---|
| Molecular Weight | 496.22 g/mol |
| LogP | 6.8607 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.21622 |
| Heavy Atoms | 37 |
| Complexity | 1439.5719 |
Chemical Identifiers
| CAS Number | 406182-85-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)F |
Product Overview
VU0061047-1 (CAS 406182-85-2), with molecular formula C31H29FN2O3 and molecular weight 496.22 g/mol. IUPAC: N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide.
Chemical Property Profile of VU0061047-1
Property Insights of VU0061047-1
The XLogP value of 6.8607 indicates that VU0061047-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0061047-1. Following Lipinski's Rule of Five, VU0061047-1 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0061047-1?
The CAS number of VU0061047-1 is 406182-85-2.
What is the molecular formula of VU0061047-1?
The molecular formula of VU0061047-1 is C31H29FN2O3.
What is the molecular weight of VU0061047-1?
The molecular weight of VU0061047-1 is 496.22 g/mol.
Where can I buy VU0061047-1?
You can request a quote for VU0061047-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0061047-1?
Yes, KEHONG BIO provides custom synthesis services for VU0061047-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.