(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
概要:(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)是一种化学化合物,分子式为C30H24F2N2O5S,分子量为562.14 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务,支持克级到吨级规格。
(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
又称:(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
| 分子式 | C30H24F2N2O5S |
|---|---|
| 分子量 | 562.14 g/mol |
| LogP | 4.1408 |
| 拓扑极性表面积 | 79.12 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 7 |
| 可旋转键数 | 6 |
| 精确质量 | 562.1374 |
| 重原子数 | 40 |
| 复杂度 | 1849.4935 |
化学标识符
| CAS 编号 | 1025611-27-1 |
|---|---|
| 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 |
产品概述
(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),分子式为C30H24F2N2O5S,分子量为562.14 g/mol。IUPAC名:(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。
(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化学性质概览
属性洞察:(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
(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的XLogP值为4.1408,表明该化合物具有亲脂性(脂溶性好),可能影响其吸收、分布和配方策略。 TPSA为79.12 Ų,处于中等极性范围,在透过性和溶解性之间取得平衡。 根据Lipinski五规则,(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有0个氢键供体和7个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
(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的CAS号是多少?
(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的CAS号为1025611-27-1。
(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的分子式是什么?
(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的分子式为C30H24F2N2O5S。
(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的分子量是多少?
(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的分子量为562.14 g/mol。
在哪里可以购买(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?
您可以直接向科弘生物询价(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。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供(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的定制合成服务?
是的,科弘生物提供(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及相关化合物的定制合成服务。请联系我们并告知您的具体需求,包括数量、纯度和交期。