AO-299/15048084
TL;DR: AO-299/15048084 (CAS 378221-77-3) is a chemical compound with molecular formula C20H18N4O2S2 and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AO-299/15048084, (6Z)-5-imino-6-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-5-imino-2-isopropyl-6-((5-(p-tolylthio)furan-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 5-imino-2-isopropyl-6-({5-[(4-methylphenyl)sulfanyl]-2-furyl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C20H18N4O2S2 |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 5.01439 |
| Topological Polar Surface Area | 82.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.08713 |
| Heavy Atoms | 28 |
| Complexity | 1048.413 |
Chemical Identifiers
| CAS Number | 378221-77-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C(C)C |
Product Overview
AO-299/15048084 (CAS 378221-77-3), with molecular formula C20H18N4O2S2 and molecular weight 410.09 g/mol. IUPAC: (6Z)-5-imino-6-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AO-299/15048084
Property Insights of AO-299/15048084
The XLogP value of 5.01439 indicates that AO-299/15048084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-299/15048084. Following Lipinski's Rule of Five, AO-299/15048084 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-299/15048084?
The CAS number of AO-299/15048084 is 378221-77-3.
What is the molecular formula of AO-299/15048084?
The molecular formula of AO-299/15048084 is C20H18N4O2S2.
What is the molecular weight of AO-299/15048084?
The molecular weight of AO-299/15048084 is 410.09 g/mol.
Where can I buy AO-299/15048084?
You can request a quote for AO-299/15048084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-299/15048084?
Yes, KEHONG BIO provides custom synthesis services for AO-299/15048084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.