AQ-750/42050364
TL;DR: AQ-750/42050364 (CAS 690961-63-8) is a chemical compound with molecular formula C19H13N3O3S2 and molecular weight 395.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone
Also Known As: AQ-750/42050364, VU0618213-1, 1-(1,3-benzodioxol-5-yl)-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone, F3394-0737, 1-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C19H13N3O3S2 |
|---|---|
| Molecular Weight | 395.04 g/mol |
| LogP | 4.1615 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.03983 |
| Heavy Atoms | 27 |
| Complexity | 1137.781 |
Chemical Identifiers
| CAS Number | 690961-63-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 |
Product Overview
AQ-750/42050364 (CAS 690961-63-8), with molecular formula C19H13N3O3S2 and molecular weight 395.04 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AQ-750/42050364
Property Insights of AQ-750/42050364
The XLogP value of 4.1615 indicates that AQ-750/42050364 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-750/42050364. Following Lipinski's Rule of Five, AQ-750/42050364 has 0 hydrogen bond donor(s) and 7 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-750/42050364?
The CAS number of AQ-750/42050364 is 690961-63-8.
What is the molecular formula of AQ-750/42050364?
The molecular formula of AQ-750/42050364 is C19H13N3O3S2.
What is the molecular weight of AQ-750/42050364?
The molecular weight of AQ-750/42050364 is 395.04 g/mol.
Where can I buy AQ-750/42050364?
You can request a quote for AQ-750/42050364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-750/42050364?
Yes, KEHONG BIO provides custom synthesis services for AQ-750/42050364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.