AQ-090/41728851
TL;DR: AQ-090/41728851 (CAS 1008063-54-4) is a chemical compound with molecular formula C26H20ClN3OS and molecular weight 457.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(3-chlorophenyl)-10-(4-methylphenyl)-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-090/41728851, 2-(3-chlorophenyl)-5-(4-methylphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one, 13-(3-chlorophenyl)-10-(4-methylphenyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one, 2-(3-chlorophenyl)-3-thioxo-5-(p-tolyl)-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one, 2-(3-chlorophenyl)-5-(4-methylphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indol-1-one
| Molecular Formula | C26H20ClN3OS |
|---|---|
| Molecular Weight | 457.10 g/mol |
| LogP | 5.77752 |
| Topological Polar Surface Area | 39.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 457.10156 |
| Heavy Atoms | 32 |
| Complexity | 1393.9816 |
Chemical Identifiers
| CAS Number | 1008063-54-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(CC4N2C(=S)N(C4=O)C5=CC(=CC=C5)Cl)C6=CC=CC=C6N3 |
Product Overview
AQ-090/41728851 (CAS 1008063-54-4), with molecular formula C26H20ClN3OS and molecular weight 457.10 g/mol. IUPAC: 13-(3-chlorophenyl)-10-(4-methylphenyl)-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-090/41728851
Property Insights of AQ-090/41728851
The XLogP value of 5.77752 indicates that AQ-090/41728851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.34 Ų, AQ-090/41728851 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ-090/41728851 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-090/41728851?
The CAS number of AQ-090/41728851 is 1008063-54-4.
What is the molecular formula of AQ-090/41728851?
The molecular formula of AQ-090/41728851 is C26H20ClN3OS.
What is the molecular weight of AQ-090/41728851?
The molecular weight of AQ-090/41728851 is 457.10 g/mol.
Where can I buy AQ-090/41728851?
You can request a quote for AQ-090/41728851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-090/41728851?
Yes, KEHONG BIO provides custom synthesis services for AQ-090/41728851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.