1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
概要:1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-(CAS 302904-82-1)是一种化学化合物,分子式为C32H46O4,分子量为494.34 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。
trans-(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-1-[[3-(2-hydroxypropan-2-yl)phenyl]methoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
又称:1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
| 分子式 | C32H46O4 |
|---|---|
| 分子量 | 494.34 g/mol |
| LogP | 4.9 |
| 拓扑极性表面积 | 69.9 Ų |
| 氢键供体数 | 3 |
| 氢键受体数 | 4 |
| 可旋转键数 | 7 |
| 精确质量 | 494.3396 |
| 重原子数 | 36 |
| 复杂度 | 841.0 |
化学标识符
| CAS 编号 | 302904-82-1 |
|---|---|
| SMILES | C[C@@H](COCC1=CC(=CC=C1)C(C)(C)O)[C@H]2CC[C@@H]3[C@@]2(CCCC3=CC=C4C[C@H](C[C@@H](C4=C)O)O)C |
| InChIKey | CFIFSLBCJAXYTC-VYMLYAPDSA-N |
产品概述
1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-(CAS 302904-82-1),分子式为C32H46O4,分子量为494.34 g/mol。IUPAC名:trans-(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-1-[[3-(2-hydroxypropan-2-yl)phenyl]methoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol。
1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-化学性质概览
属性洞察:1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-的XLogP值为4.9,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69.9 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,1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-有3个氢键供体和4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
1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-的CAS号是多少?
1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-的CAS号为302904-82-1。
1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-的分子式是什么?
1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-的分子式为C32H46O4。
1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-的分子量是多少?
1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-的分子量为494.34 g/mol。
在哪里可以购买1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-?
您可以直接向科弘生物询价1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-。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1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-的定制合成服务?
是的,科弘生物提供1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]methoxy]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-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。