AO-081/41191381
TL;DR: AO-081/41191381 (CAS 445437-80-9) is a chemical compound with molecular formula C28H21N3OS2 and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-14-[(1-methylindol-3-yl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Also Known As: AO-081/41191381, (Z)-10-((1-methyl-1H-indol-3-yl)methylene)-7-(thiophen-2-yl)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one, (14Z)-14-[(1-Methylindol-3-yl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one, 10-[(1-methyl-1H-indol-3-yl)methylene]-7-(2-thienyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one, (10Z)-10-[(1-methyl-1H-indol-3-yl)methylidene]-7-(thiophen-2-yl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
| Molecular Formula | C28H21N3OS2 |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 4.8719 |
| Topological Polar Surface Area | 39.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 479.1126 |
| Heavy Atoms | 34 |
| Complexity | 1798.2252 |
Chemical Identifiers
| CAS Number | 445437-80-9 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N4C(C5=C(C6=CC=CC=C6CC5)N=C4S3)C7=CC=CS7 |
Product Overview
AO-081/41191381 (CAS 445437-80-9), with molecular formula C28H21N3OS2 and molecular weight 479.11 g/mol. IUPAC: (14Z)-14-[(1-methylindol-3-yl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one.
Chemical Property Profile of AO-081/41191381
Property Insights of AO-081/41191381
The XLogP value of 4.8719 indicates that AO-081/41191381 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.29 Ų, AO-081/41191381 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/41191381 has 0 hydrogen bond donor(s) and 4 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 AO-081/41191381?
The CAS number of AO-081/41191381 is 445437-80-9.
What is the molecular formula of AO-081/41191381?
The molecular formula of AO-081/41191381 is C28H21N3OS2.
What is the molecular weight of AO-081/41191381?
The molecular weight of AO-081/41191381 is 479.11 g/mol.
Where can I buy AO-081/41191381?
You can request a quote for AO-081/41191381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41191381?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41191381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.