AQ-090/41728765
TL;DR: AQ-090/41728765 (CAS 1008063-32-8) is a chemical compound with molecular formula C29H20ClN3OS and molecular weight 493.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-chlorophenyl)-13-naphthalen-1-yl-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-090/41728765, 5-(4-chlorophenyl)-2-(naphthalen-1-yl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one, 5-(4-chlorophenyl)-2-(1-naphthyl)-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-naphthalen-1-yl-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one
| Molecular Formula | C29H20ClN3OS |
|---|---|
| Molecular Weight | 493.10 g/mol |
| LogP | 6.6223 |
| Topological Polar Surface Area | 39.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 493.10156 |
| Heavy Atoms | 35 |
| Complexity | 1653.0144 |
Chemical Identifiers
| CAS Number | 1008063-32-8 |
|---|---|
| SMILES | C1C2C(=O)N(C(=S)N2C(C3=C1C4=CC=CC=C4N3)C5=CC=C(C=C5)Cl)C6=CC=CC7=CC=CC=C76 |
Product Overview
AQ-090/41728765 (CAS 1008063-32-8), with molecular formula C29H20ClN3OS and molecular weight 493.10 g/mol. IUPAC: 10-(4-chlorophenyl)-13-naphthalen-1-yl-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-090/41728765
Property Insights of AQ-090/41728765
The XLogP value of 6.6223 indicates that AQ-090/41728765 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-090/41728765 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ-090/41728765 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-090/41728765?
The CAS number of AQ-090/41728765 is 1008063-32-8.
What is the molecular formula of AQ-090/41728765?
The molecular formula of AQ-090/41728765 is C29H20ClN3OS.
What is the molecular weight of AQ-090/41728765?
The molecular weight of AQ-090/41728765 is 493.10 g/mol.
Where can I buy AQ-090/41728765?
You can request a quote for AQ-090/41728765 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-090/41728765?
Yes, KEHONG BIO provides custom synthesis services for AQ-090/41728765 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.