![rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one structure](/static/products/114/114686-84-9.png)
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
概要：rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one（CAS 114686-84-9）是一种化学化合物，分子式为C31H36N2O6S，分子量为564.23 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。
[(2S,3S)-5-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
又称：rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, (2S)-3beta-Acetoxy-2,3-dihydro-2beta-(4-methoxyphenyl)-5-[2-[methyl[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]-1,5-benzothiazepin-4(5H)-one, (2S,3S)-5-(2-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
| 分子式 | C31H36N2O6S |
|---|---|
| 分子量 | 564.23 g/mol |
| LogP | 4.9986 |
| 拓扑极性表面积 | 77.54 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 8 |
| 可旋转键数 | 11 |
| 精确质量 | 564.22943 |
| 重原子数 | 40 |
| 复杂度 | 1315.4326 |
化学标识符
| CAS 编号 | 114686-84-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC |
产品概述
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one（CAS 114686-84-9），分子式为C31H36N2O6S，分子量为564.23 g/mol。IUPAC名：[(2S,3S)-5-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate。
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one化学性质概览
属性洞察：rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one的XLogP值为4.9986，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77.54 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，rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one有0个氢键供体和8个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one的CAS号是多少？
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one的CAS号为114686-84-9。
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one的分子式是什么？
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one的分子式为C31H36N2O6S。
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one的分子量是多少？
rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one的分子量为564.23 g/mol。
在哪里可以购买rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one？
您可以直接向科弘生物询价rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-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rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one的定制合成服务？
是的，科弘生物提供rel-(2R,3R)-3-(Acetyloxy)-5-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-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。