(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
概要:(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one(CAS 473223-16-4)是一种化学化合物,分子式为C19H12Cl2N4O2S2,分子量为461.98 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。
5-amino-3-benzylsulfanyl-6-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
又称:(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (Z)-3-(benzylthio)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one, 5-amino-3-benzylsulfanyl-6-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, 6-[(3,5-dichloro-4-hydroxyphenyl)methylene]-5-imino-3-(phenylmethylthio)-4-hyd ro-1,2,4-thiadiazolino[4,5-a]pyrimidin-7-one
| 分子式 | C19H12Cl2N4O2S2 |
|---|---|
| 分子量 | 461.98 g/mol |
| LogP | 4.237 |
| 拓扑极性表面积 | 90.35 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 7 |
| 可旋转键数 | 4 |
| 精确质量 | 461.97787 |
| 重原子数 | 29 |
| 复杂度 | 1252.5963 |
化学标识符
| CAS 编号 | 473223-16-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NSC3=NC(=O)C(=C(N32)N)C=C4C=C(C(=O)C(=C4)Cl)Cl |
产品概述
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one(CAS 473223-16-4),分子式为C19H12Cl2N4O2S2,分子量为461.98 g/mol。IUPAC名:5-amino-3-benzylsulfanyl-6-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one。
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one化学性质概览
属性洞察:(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one的XLogP值为4.237,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90.35 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,(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one有1个氢键供体和7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
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one的CAS号是多少?
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one的CAS号为473223-16-4。
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one的分子式是什么?
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one的分子式为C19H12Cl2N4O2S2。
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one的分子量是多少?
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one的分子量为461.98 g/mol。
在哪里可以购买(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
您可以直接向科弘生物询价(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-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(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one的定制合成服务?
是的,科弘生物提供(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-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。