AO-081/40799940
TL;DR: AO-081/40799940 (CAS 443298-32-6) is a chemical compound with molecular formula C18H15N3O4S and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AO-081/40799940, 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(1-Benzo[1,3]dioxol-5-yl-2,5-dimethyl-1H-pyrrol-3-ylmethylene)-2-thioxo-dihydro-pyrimidine-4,6-dione, (5E)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
| Molecular Formula | C18H15N3O4S |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 1.73714 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.07834 |
| Heavy Atoms | 26 |
| Complexity | 984.1054 |
Chemical Identifiers
| CAS Number | 443298-32-6 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)NC(=S)NC4=O |
Product Overview
AO-081/40799940 (CAS 443298-32-6), with molecular formula C18H15N3O4S and molecular weight 369.08 g/mol. IUPAC: 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AO-081/40799940
Property Insights of AO-081/40799940
The XLogP value of 1.73714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40799940. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40799940. Following Lipinski's Rule of Five, AO-081/40799940 has 2 hydrogen bond donor(s) and 5 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-081/40799940?
The CAS number of AO-081/40799940 is 443298-32-6.
What is the molecular formula of AO-081/40799940?
The molecular formula of AO-081/40799940 is C18H15N3O4S.
What is the molecular weight of AO-081/40799940?
The molecular weight of AO-081/40799940 is 369.08 g/mol.
Where can I buy AO-081/40799940?
You can request a quote for AO-081/40799940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40799940?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40799940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.