AQ-090/41728759
TL;DR: AQ-090/41728759 (CAS 1008993-84-7) is a chemical compound with molecular formula C24H22ClN3O2S and molecular weight 451.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-chlorophenyl)-13-(oxolan-2-ylmethyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one
Also Known As: AQ-090/41728759, 5-(4-chlorophenyl)-2-(tetrahydro-2-furanylmethyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indol-1-one, 10-(4-chlorophenyl)-13-(oxolan-2-ylmethyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one, 5-(4-chlorophenyl)-2-((tetrahydrofuran-2-yl)methyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
| Molecular Formula | C24H22ClN3O2S |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 4.4435 |
| Topological Polar Surface Area | 48.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.11212 |
| Heavy Atoms | 31 |
| Complexity | 1185.2574 |
Chemical Identifiers
| CAS Number | 1008993-84-7 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=O)C3CC4=C(C(N3C2=S)C5=CC=C(C=C5)Cl)NC6=CC=CC=C46 |
Product Overview
AQ-090/41728759 (CAS 1008993-84-7), with molecular formula C24H22ClN3O2S and molecular weight 451.11 g/mol. IUPAC: 10-(4-chlorophenyl)-13-(oxolan-2-ylmethyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one.
Chemical Property Profile of AQ-090/41728759
Property Insights of AQ-090/41728759
The XLogP value of 4.4435 indicates that AQ-090/41728759 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.57 Ų, AQ-090/41728759 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ-090/41728759 has 1 hydrogen bond donor(s) and 3 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-090/41728759?
The CAS number of AQ-090/41728759 is 1008993-84-7.
What is the molecular formula of AQ-090/41728759?
The molecular formula of AQ-090/41728759 is C24H22ClN3O2S.
What is the molecular weight of AQ-090/41728759?
The molecular weight of AQ-090/41728759 is 451.11 g/mol.
Where can I buy AQ-090/41728759?
You can request a quote for AQ-090/41728759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-090/41728759?
Yes, KEHONG BIO provides custom synthesis services for AQ-090/41728759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.