AQ-750/42050599
TL;DR: AQ-750/42050599 (CAS 671200-47-8) is a chemical compound with molecular formula C28H28FN3O2S and molecular weight 489.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
Also Known As: AQ-750/42050599, F3394-0669, 4-ethyl-2-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile, 4-ethyl-2-((2-(1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-ethyl-2-({2-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C28H28FN3O2S |
|---|---|
| Molecular Weight | 489.19 g/mol |
| LogP | 6.19242 |
| Topological Polar Surface Area | 75.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.18863 |
| Heavy Atoms | 35 |
| Complexity | 1398.1595 |
Chemical Identifiers
| CAS Number | 671200-47-8 |
|---|---|
| SMILES | CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4F)C)C#N |
Product Overview
AQ-750/42050599 (CAS 671200-47-8), with molecular formula C28H28FN3O2S and molecular weight 489.19 g/mol. IUPAC: 4-ethyl-2-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of AQ-750/42050599
Property Insights of AQ-750/42050599
The XLogP value of 6.19242 indicates that AQ-750/42050599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-750/42050599. Following Lipinski's Rule of Five, AQ-750/42050599 has 0 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 AQ-750/42050599?
The CAS number of AQ-750/42050599 is 671200-47-8.
What is the molecular formula of AQ-750/42050599?
The molecular formula of AQ-750/42050599 is C28H28FN3O2S.
What is the molecular weight of AQ-750/42050599?
The molecular weight of AQ-750/42050599 is 489.19 g/mol.
Where can I buy AQ-750/42050599?
You can request a quote for AQ-750/42050599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-750/42050599?
Yes, KEHONG BIO provides custom synthesis services for AQ-750/42050599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.