![4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one structure](/static/products/7233/723333-49-1.webp)
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
概要：4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one（CAS 723333-49-1）是一种化学化合物，分子式为C18H14ClF3N2OS2，分子量为430.02 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。
3-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
又称：4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 3-[4-chloro-3-(trifluoromethyl)phenyl]-2-mercapto-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 4-[4-chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 3-(4-Chloro-3-(trifluoromethyl)phenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one
| 分子式 | C18H14ClF3N2OS2 |
|---|---|
| 分子量 | 430.02 g/mol |
| LogP | 5.90679 |
| 拓扑极性表面积 | 37.79 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 430.01883 |
| 重原子数 | 27 |
| 复杂度 | 1176.2793 |
化学标识符
| CAS 编号 | 723333-49-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC(=C(C=C4)Cl)C(F)(F)F |
产品概述
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one（CAS 723333-49-1），分子式为C18H14ClF3N2OS2，分子量为430.02 g/mol。IUPAC名：3-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one。
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one化学性质概览
属性洞察：4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one的XLogP值为5.90679，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。 4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one的拓扑极性表面积（TPSA）为37.79 Ų，极性较低，可能具有较好的细胞膜透过性。 根据Lipinski五规则，4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one有1个氢键供体和3个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one的CAS号是多少？
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one的CAS号为723333-49-1。
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one的分子式是什么？
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one的分子式为C18H14ClF3N2OS2。
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one的分子量是多少？
4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one的分子量为430.02 g/mol。
在哪里可以购买4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one？
您可以直接向科弘生物询价4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-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4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one的定制合成服务？
是的，科弘生物提供4-[4-Chloro-3-(trifluoromethyl)phenyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-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。