AO-299/41878719
TL;DR: AO-299/41878719 (CAS 667880-66-2) is a chemical compound with molecular formula C28H21N5OS and molecular weight 475.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AO-299/41878719, (E)-6-((2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl)methylene)-5-imino-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C28H21N5OS |
|---|---|
| Molecular Weight | 475.15 g/mol |
| LogP | 5.91481 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.14667 |
| Heavy Atoms | 35 |
| Complexity | 1627.8721 |
Chemical Identifiers
| CAS Number | 667880-66-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=CC=CC=C3C=C2)C)/C=C/4\C(=N)N5C(=NC4=O)SC(=N5)C6=CC=CC=C6 |
Product Overview
AO-299/41878719 (CAS 667880-66-2), with molecular formula C28H21N5OS and molecular weight 475.15 g/mol. IUPAC: (6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AO-299/41878719
Property Insights of AO-299/41878719
The XLogP value of 5.91481 indicates that AO-299/41878719 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-299/41878719. Following Lipinski's Rule of Five, AO-299/41878719 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-299/41878719?
The CAS number of AO-299/41878719 is 667880-66-2.
What is the molecular formula of AO-299/41878719?
The molecular formula of AO-299/41878719 is C28H21N5OS.
What is the molecular weight of AO-299/41878719?
The molecular weight of AO-299/41878719 is 475.15 g/mol.
Where can I buy AO-299/41878719?
You can request a quote for AO-299/41878719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-299/41878719?
Yes, KEHONG BIO provides custom synthesis services for AO-299/41878719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.