AQ-090/41728912
TL;DR: AQ-090/41728912 (CAS 449797-06-2) is a chemical compound with molecular formula C17H17N3OS and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-13-prop-2-enyl-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-090/41728912, 2-allyl-5-methyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indol-1-one, 2-allyl-5-methyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one, 10-methyl-13-prop-2-enyl-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one, 2-ALLYL-5-METHYL-3-THIOXO-2,3,5,6,11,11A-HEXAHYDRO-1H-IMIDAZO[1,5-B]BETA-CARBOLIN-1-ONE
| Molecular Formula | C17H17N3OS |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 2.7687 |
| Topological Polar Surface Area | 39.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.10922 |
| Heavy Atoms | 22 |
| Complexity | 809.337 |
Chemical Identifiers
| CAS Number | 449797-06-2 |
|---|---|
| SMILES | CC1C2=C(CC3N1C(=S)N(C3=O)CC=C)C4=CC=CC=C4N2 |
Product Overview
AQ-090/41728912 (CAS 449797-06-2), with molecular formula C17H17N3OS and molecular weight 311.11 g/mol. IUPAC: 10-methyl-13-prop-2-enyl-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-090/41728912
Property Insights of AQ-090/41728912
The XLogP value of 2.7687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AQ-090/41728912. With a topological polar surface area (TPSA) of 39.34 Ų, AQ-090/41728912 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ-090/41728912 has 1 hydrogen bond donor(s) and 2 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-090/41728912?
The CAS number of AQ-090/41728912 is 449797-06-2.
What is the molecular formula of AQ-090/41728912?
The molecular formula of AQ-090/41728912 is C17H17N3OS.
What is the molecular weight of AQ-090/41728912?
The molecular weight of AQ-090/41728912 is 311.11 g/mol.
Where can I buy AQ-090/41728912?
You can request a quote for AQ-090/41728912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-090/41728912?
Yes, KEHONG BIO provides custom synthesis services for AQ-090/41728912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.