AO-081/15571140
TL;DR: AO-081/15571140 (CAS 461048-00-0) is a chemical compound with molecular formula C20H16N4O2S and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AO-081/15571140, 5-{[2,5-dimethyl-1-(6-quinolinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-5-{[2,5-dimethyl-1-(quinolinium-6-yl)-1H-pyrrol-3-yl]methylidene}-6-hydroxy-4-oxo-4,5-dihydropyrimidine-2-thiolate, 5-((2,5-dimethyl-1-(quinolin-6-yl)-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H16N4O2S |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | 2.55664 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.0994 |
| Heavy Atoms | 27 |
| Complexity | 1137.9982 |
Chemical Identifiers
| CAS Number | 461048-00-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)C=C4C(=O)NC(=S)NC4=O |
Product Overview
AO-081/15571140 (CAS 461048-00-0), with molecular formula C20H16N4O2S and molecular weight 376.10 g/mol. IUPAC: 5-[(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AO-081/15571140
Property Insights of AO-081/15571140
The XLogP value of 2.55664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/15571140. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15571140. Following Lipinski's Rule of Five, AO-081/15571140 has 2 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-081/15571140?
The CAS number of AO-081/15571140 is 461048-00-0.
What is the molecular formula of AO-081/15571140?
The molecular formula of AO-081/15571140 is C20H16N4O2S.
What is the molecular weight of AO-081/15571140?
The molecular weight of AO-081/15571140 is 376.10 g/mol.
Where can I buy AO-081/15571140?
You can request a quote for AO-081/15571140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15571140?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15571140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.