3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
概要:3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one(CAS 675171-37-6)是一种化学化合物,分子式为C19H24N2O2S2,分子量为376.13 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。
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
又称:3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(3,3-dimethyl-2-oxobutylthio)-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-4-one, 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-allyl-2-((3,3-dimethyl-2-oxobutyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| 分子式 | C19H24N2O2S2 |
|---|---|
| 分子量 | 376.13 g/mol |
| LogP | 4.2301 |
| 拓扑极性表面积 | 51.96 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 5 |
| 精确质量 | 376.12793 |
| 重原子数 | 25 |
| 复杂度 | 887.4319 |
化学标识符
| CAS 编号 | 675171-37-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC=C |
产品概述
3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one(CAS 675171-37-6),分子式为C19H24N2O2S2,分子量为376.13 g/mol。IUPAC名:2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one。
3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one化学性质概览
属性洞察:3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one的XLogP值为4.2301,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。 3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one的拓扑极性表面积(TPSA)为51.96 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one有0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
3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one的CAS号是多少?
3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one的CAS号为675171-37-6。
3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one的分子式是什么?
3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one的分子式为C19H24N2O2S2。
3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one的分子量是多少?
3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one的分子量为376.13 g/mol。
在哪里可以购买3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
您可以直接向科弘生物询价3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one的定制合成服务?
是的,科弘生物提供3-allyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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。