AQ-750/42052705
TL;DR: AQ-750/42052705 (CAS 690960-17-9) is a chemical compound with molecular formula C21H15N7O2S2 and molecular weight 461.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
Also Known As: AQ-750/42052705, VU0618175-1, F3394-0578, 2-((4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide, 2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
| Molecular Formula | C21H15N7O2S2 |
|---|---|
| Molecular Weight | 461.07 g/mol |
| LogP | 3.3581 |
| Topological Polar Surface Area | 118.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.07288 |
| Heavy Atoms | 32 |
| Complexity | 1445.5898 |
Chemical Identifiers
| CAS Number | 690960-17-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NSC(=N2)NC(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5 |
Product Overview
AQ-750/42052705 (CAS 690960-17-9), with molecular formula C21H15N7O2S2 and molecular weight 461.07 g/mol. IUPAC: 2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.
Chemical Property Profile of AQ-750/42052705
Property Insights of AQ-750/42052705
The XLogP value of 3.3581 indicates that AQ-750/42052705 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-750/42052705. Following Lipinski's Rule of Five, AQ-750/42052705 has 2 hydrogen bond donor(s) and 8 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-750/42052705?
The CAS number of AQ-750/42052705 is 690960-17-9.
What is the molecular formula of AQ-750/42052705?
The molecular formula of AQ-750/42052705 is C21H15N7O2S2.
What is the molecular weight of AQ-750/42052705?
The molecular weight of AQ-750/42052705 is 461.07 g/mol.
Where can I buy AQ-750/42052705?
You can request a quote for AQ-750/42052705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-750/42052705?
Yes, KEHONG BIO provides custom synthesis services for AQ-750/42052705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.