AO-081/41132652
TL;DR: AO-081/41132652 (CAS 499112-46-8) is a chemical compound with molecular formula C22H21ClN4O3S and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
Also Known As: AO-081/41132652, (5E)-1-(3-chloro-4-methylphenyl)-5-[(4-morpholin-4-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(3-chloro-4-methylphenyl)-5-{[4-(4-morpholinyl)anilino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-1-(3-chloro-4-methylphenyl)-5-({[4-(morpholin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-1-(3-chloro-4-methylphenyl)-5-[(4-morpholin-4-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H21ClN4O3S |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 4.14971 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1023 |
| Heavy Atoms | 31 |
| Complexity | 1245.0913 |
Chemical Identifiers
| CAS Number | 499112-46-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C(=O)NC2=S)C=NC3=CC=C(C=C3)N4CCOCC4)O)Cl |
Product Overview
AO-081/41132652 (CAS 499112-46-8), with molecular formula C22H21ClN4O3S and molecular weight 456.10 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of AO-081/41132652
Property Insights of AO-081/41132652
The XLogP value of 4.14971 indicates that AO-081/41132652 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-081/41132652. Following Lipinski's Rule of Five, AO-081/41132652 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-081/41132652?
The CAS number of AO-081/41132652 is 499112-46-8.
What is the molecular formula of AO-081/41132652?
The molecular formula of AO-081/41132652 is C22H21ClN4O3S.
What is the molecular weight of AO-081/41132652?
The molecular weight of AO-081/41132652 is 456.10 g/mol.
Where can I buy AO-081/41132652?
You can request a quote for AO-081/41132652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41132652?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41132652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.