1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
概要:1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one(CAS 714945-37-6)是一种化学化合物,分子式为C23H29N3O3S,分子量为427.19 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。
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
又称:1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4-[4-(prop-2-en-1-yloxy)phenyl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 4-(4-(allyloxy)phenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| 分子式 | C23H29N3O3S |
|---|---|
| 分子量 | 427.19 g/mol |
| LogP | 4.66112 |
| 拓扑极性表面积 | 65.38 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 5 |
| 精确质量 | 427.19296 |
| 重原子数 | 30 |
| 复杂度 | 935.9151 |
化学标识符
| CAS 编号 | 714945-37-6 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC=C(C=C3)OCC=C)C4CCOC(C4)(C)C |
产品概述
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one(CAS 714945-37-6),分子式为C23H29N3O3S,分子量为427.19 g/mol。IUPAC名:1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one。
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one化学性质概览
属性洞察:1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one的XLogP值为4.66112,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65.38 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,1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one有1个氢键供体和5个氢键受体,均在类药范围内,提示具有较好的口服生物利用度潜力。
常见问题
常见问题
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one的CAS号是多少?
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one的CAS号为714945-37-6。
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one的分子式是什么?
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one的分子式为C23H29N3O3S。
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one的分子量是多少?
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one的分子量为427.19 g/mol。
在哪里可以购买1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
您可以直接向科弘生物询价1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-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1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one的定制合成服务?
是的,科弘生物提供1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-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。