AO-299/15458042
TL;DR: AO-299/15458042 (CAS 426231-67-6) is a chemical compound with molecular formula C14H9F3N4OS and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[(4-methylphenyl)methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AO-299/15458042, (6Z)-5-imino-6-[(4-methylphenyl)methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5-imino-6-(4-methylbenzylidene)-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C14H9F3N4OS |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 3.17649 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.04492 |
| Heavy Atoms | 23 |
| Complexity | 793.23553 |
Chemical Identifiers
| CAS Number | 426231-67-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C(F)(F)F |
Product Overview
AO-299/15458042 (CAS 426231-67-6), with molecular formula C14H9F3N4OS and molecular weight 338.04 g/mol. IUPAC: (6Z)-5-imino-6-[(4-methylphenyl)methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AO-299/15458042
Property Insights of AO-299/15458042
The XLogP value of 3.17649 indicates that AO-299/15458042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-299/15458042. Following Lipinski's Rule of Five, AO-299/15458042 has 1 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-299/15458042?
The CAS number of AO-299/15458042 is 426231-67-6.
What is the molecular formula of AO-299/15458042?
The molecular formula of AO-299/15458042 is C14H9F3N4OS.
What is the molecular weight of AO-299/15458042?
The molecular weight of AO-299/15458042 is 338.04 g/mol.
Where can I buy AO-299/15458042?
You can request a quote for AO-299/15458042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-299/15458042?
Yes, KEHONG BIO provides custom synthesis services for AO-299/15458042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.