AO-081/41132595
TL;DR: AO-081/41132595 (CAS 509113-49-9) is a chemical compound with molecular formula C21H19FN4O3S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
Also Known As: AO-081/41132595, (5E)-1-(2-fluorophenyl)-5-[(4-morpholin-4-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(2-fluorophenyl)-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(2-fluorophenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one, (5Z)-1-(2-fluorophenyl)-5-[(4-morpholin-4-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H19FN4O3S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.32699 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.11618 |
| Heavy Atoms | 30 |
| Complexity | 1198.1088 |
Chemical Identifiers
| CAS Number | 509113-49-9 |
|---|---|
| SMILES | C1COCCN1C2=CC=C(C=C2)N=CC3=C(N(C(=S)NC3=O)C4=CC=CC=C4F)O |
Product Overview
AO-081/41132595 (CAS 509113-49-9), with molecular formula C21H19FN4O3S and molecular weight 426.12 g/mol. IUPAC: 1-(2-fluorophenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of AO-081/41132595
Property Insights of AO-081/41132595
The XLogP value of 3.32699 indicates that AO-081/41132595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41132595. Following Lipinski's Rule of Five, AO-081/41132595 has 2 hydrogen bond donor(s) and 6 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-081/41132595?
The CAS number of AO-081/41132595 is 509113-49-9.
What is the molecular formula of AO-081/41132595?
The molecular formula of AO-081/41132595 is C21H19FN4O3S.
What is the molecular weight of AO-081/41132595?
The molecular weight of AO-081/41132595 is 426.12 g/mol.
Where can I buy AO-081/41132595?
You can request a quote for AO-081/41132595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41132595?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41132595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.