AQ-750/42050596
TL;DR: AQ-750/42050596 (CAS 671200-46-7) is a chemical compound with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
Also Known As: AQ-750/42050596, F3394-0668, 6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)nicotinonitrile, 6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile, 6-(3,4-DIMETHYLPHENYL)-4-(4-METHOXYPHENYL)-2-{[2-(MORPHOLIN-4-YL)-2-OXOETHYL]SULFANYL}PYRIDINE-3-CARBONITRILE
| Molecular Formula | C27H27N3O3S |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 4.86362 |
| Topological Polar Surface Area | 75.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.1773 |
| Heavy Atoms | 34 |
| Complexity | 1229.1031 |
Chemical Identifiers
| CAS Number | 671200-46-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC(=O)N4CCOCC4)C |
Product Overview
AQ-750/42050596 (CAS 671200-46-7), with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol. IUPAC: 6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of AQ-750/42050596
Property Insights of AQ-750/42050596
The XLogP value of 4.86362 indicates that AQ-750/42050596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-750/42050596. Following Lipinski's Rule of Five, AQ-750/42050596 has 0 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 AQ-750/42050596?
The CAS number of AQ-750/42050596 is 671200-46-7.
What is the molecular formula of AQ-750/42050596?
The molecular formula of AQ-750/42050596 is C27H27N3O3S.
What is the molecular weight of AQ-750/42050596?
The molecular weight of AQ-750/42050596 is 473.18 g/mol.
Where can I buy AQ-750/42050596?
You can request a quote for AQ-750/42050596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-750/42050596?
Yes, KEHONG BIO provides custom synthesis services for AQ-750/42050596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.