AO-299/41879129
TL;DR: AO-299/41879129 (CAS 667880-75-3) is a chemical compound with molecular formula C25H20FN5OS and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AO-299/41879129, (E)-6-((1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(o-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C25H20FN5OS |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 5.20913 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.13727 |
| Heavy Atoms | 33 |
| Complexity | 1432.299 |
Chemical Identifiers
| CAS Number | 667880-75-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN3C(=N)/C(=C\C4=C(N(C(=C4)C)C5=CC(=CC=C5)F)C)/C(=O)N=C3S2 |
Product Overview
AO-299/41879129 (CAS 667880-75-3), with molecular formula C25H20FN5OS and molecular weight 457.14 g/mol. IUPAC: (6E)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AO-299/41879129
Property Insights of AO-299/41879129
The XLogP value of 5.20913 indicates that AO-299/41879129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-299/41879129. Following Lipinski's Rule of Five, AO-299/41879129 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-299/41879129?
The CAS number of AO-299/41879129 is 667880-75-3.
What is the molecular formula of AO-299/41879129?
The molecular formula of AO-299/41879129 is C25H20FN5OS.
What is the molecular weight of AO-299/41879129?
The molecular weight of AO-299/41879129 is 457.14 g/mol.
Where can I buy AO-299/41879129?
You can request a quote for AO-299/41879129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-299/41879129?
Yes, KEHONG BIO provides custom synthesis services for AO-299/41879129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.