![(13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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 structure](/static/products/102/1025611-27-1.webp)
(13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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
TL;DR: (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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 (CAS 1025611-27-1) is a chemical compound with molecular formula C30H24F2N2O5S and molecular weight 562.1374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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: (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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, (2E)-13-acetyl-2-{3-[(2,4-difluorophenoxy)methyl]-4-methoxybenzylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one, (E)-13-acetyl-2-(3-((2,4-difluorophenoxy)methyl)-4-methoxybenzylidene)-5-methyl-5,11-dihydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocin-1(2H)-one, 16-ACETYL-13-((E)-1-{3-[(2,4-DIFLUOROPHENOXY)METHYL]-4-METHOXYPHENYL}METHYLIDENE)-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, 16-acetyl-13-{3-[(2,4-difluorophenoxy)methyl]-4-methoxybenzylidene}-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
Technical Specifications
| Molecular Formula | C30H24F2N2O5S |
| Molecular Weight | 562.1374 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 562.1374 Da |
| Heavy Atoms | 40 |
| Complexity | 1070.0 |
| SMILES | CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)/C(=C\C5=CC(=C(C=C5)OC)COC6=C(C=C(C=C6)F)F)/S4)C |
| InChIKey | JXAJZKGTWAWETQ-DHRITJCHSA-N |
Chemical Property Profile of (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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
Property Insights of (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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
The XLogP value of 5.0 indicates that (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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. Following Lipinski's Rule of Five, (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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?
The CAS number of (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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 is 1025611-27-1.
What is the molecular formula of (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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?
The molecular formula of (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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 is C30H24F2N2O5S.
What is the molecular weight of (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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?
The molecular weight of (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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 is 562.1374 g/mol.
Where can I buy (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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?
You can request a quote for (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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?
Yes, CoreyChem provides custom synthesis services for (13E)-16-acetyl-13-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.