![(2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one structure](/static/products/102/1025311-81-2.png)
(2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
TL;DR: (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one (CAS 1025311-81-2) is a chemical compound with molecular formula C26H19ClN2O4S and molecular weight 490.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-16-acetyl-13-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-9-methyl-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraen-14-one
Also Known As: (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one, (13E)-16-acetyl-13-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-9-methyl-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraen-14-one, (13E)-16-ACETYL-13-{[5-(2-CHLOROPHENYL)-2-FURYL]METHYLENE}-9-METHYL-8-OXA-12-THIA-10,15-DIAZATETRACYCLO[7.6.1.0~2,7~.0~11,15~]HEXADECA-2,4,6,10-TETRAEN-14-ONE, (2E)-13-acetyl-2-{[5-(2-chlorophenyl)-2-furyl]methylene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1-one, (E)-13-acetyl-2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-methyl-5,11-dihydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocin-1(2H)-one
| Molecular Formula | C26H19ClN2O4S |
|---|---|
| Molecular Weight | 490.08 g/mol |
| LogP | 4.1884 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 490.0754 |
| Heavy Atoms | 34 |
| Complexity | 1649.3783 |
Chemical Identifiers
| CAS Number | 1025311-81-2 |
|---|---|
| SMILES | CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)/C(=C\C5=CC=C(O5)C6=CC=CC=C6Cl)/S4)C |
Product Overview
(2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one (CAS 1025311-81-2), with molecular formula C26H19ClN2O4S and molecular weight 490.08 g/mol. IUPAC: (13E)-16-acetyl-13-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-9-methyl-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraen-14-one.
Chemical Property Profile of (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Property Insights of (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
The XLogP value of 4.1884 indicates that (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one. Following Lipinski's Rule of Five, (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one has 0 hydrogen bond donor(s) and 6 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 (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one?
The CAS number of (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one is 1025311-81-2.
What is the molecular formula of (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one?
The molecular formula of (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one is C26H19ClN2O4S.
What is the molecular weight of (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one?
The molecular weight of (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one is 490.08 g/mol.
Where can I buy (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one?
You can request a quote for (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-13-acetyl-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.