A0533/0024616
TL;DR: A0533/0024616 (CAS 336180-94-0) is a chemical compound with molecular formula C18H10N4OS3 and molecular weight 394.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-5-amino-3-oxo-7-thiophen-3-yl-2-(thiophen-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Also Known As: A0533/0024616, (2Z)-5-amino-3-oxo-7-(thiophen-3-yl)-2-(thiophen-3-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (2Z)-5-amino-3-oxo-7-thiophen-3-yl-2-(thiophen-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (Z)-5-amino-3-oxo-7-(thiophen-3-yl)-2-(thiophen-3-ylmethylene)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
| Molecular Formula | C18H10N4OS3 |
|---|---|
| Molecular Weight | 394.00 g/mol |
| LogP | 1.98416 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.00168 |
| Heavy Atoms | 26 |
| Complexity | 1276.322 |
Chemical Identifiers
| CAS Number | 336180-94-0 |
|---|---|
| SMILES | C1=CSC=C1/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CSC=C4)C#N)N |
Product Overview
A0533/0024616 (CAS 336180-94-0), with molecular formula C18H10N4OS3 and molecular weight 394.00 g/mol. IUPAC: (2Z)-5-amino-3-oxo-7-thiophen-3-yl-2-(thiophen-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.
Chemical Property Profile of A0533/0024616
Property Insights of A0533/0024616
The XLogP value of 1.98416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0533/0024616. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for A0533/0024616. Following Lipinski's Rule of Five, A0533/0024616 has 1 hydrogen bond donor(s) and 7 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 A0533/0024616?
The CAS number of A0533/0024616 is 336180-94-0.
What is the molecular formula of A0533/0024616?
The molecular formula of A0533/0024616 is C18H10N4OS3.
What is the molecular weight of A0533/0024616?
The molecular weight of A0533/0024616 is 394.00 g/mol.
Where can I buy A0533/0024616?
You can request a quote for A0533/0024616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0533/0024616?
Yes, KEHONG BIO provides custom synthesis services for A0533/0024616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.