A2494/0106081
TL;DR: A2494/0106081 (CAS 380595-65-3) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(7Z)-6-oxo-7-(pyridin-3-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate
Also Known As: A2494/0106081, ethyl 4-[(7Z)-6-oxo-7-(pyridin-3-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate, (Z)-ethyl 4-(6-oxo-7-(pyridin-3-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate, ethyl 4-[(7Z)-6-oxo-7-(pyridin-3-ylmethylidene)-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoate, ETHYL 4-[(7Z)-6-OXO-7-[(PYRIDIN-3-YL)METHYLIDENE]-2H,3H,4H,6H,7H-[1,3]THIAZOLO[3,2-A][1,3,5]TRIAZIN-3-YL]BENZOATE
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 1.3651 |
| Topological Polar Surface Area | 76.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1166.9001 |
Chemical Identifiers
| CAS Number | 380595-65-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/C4=CN=CC=C4)/S3 |
Product Overview
A2494/0106081 (CAS 380595-65-3), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: ethyl 4-[(7Z)-6-oxo-7-(pyridin-3-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate.
Chemical Property Profile of A2494/0106081
Property Insights of A2494/0106081
The XLogP value of 1.3651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2494/0106081. The TPSA of 76.79 Ų falls within the moderate polarity range, balancing permeability and solubility for A2494/0106081. Following Lipinski's Rule of Five, A2494/0106081 has 0 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 A2494/0106081?
The CAS number of A2494/0106081 is 380595-65-3.
What is the molecular formula of A2494/0106081?
The molecular formula of A2494/0106081 is C20H18N4O3S.
What is the molecular weight of A2494/0106081?
The molecular weight of A2494/0106081 is 394.11 g/mol.
Where can I buy A2494/0106081?
You can request a quote for A2494/0106081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2494/0106081?
Yes, KEHONG BIO provides custom synthesis services for A2494/0106081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.