ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
概要：ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate（CAS 1005038-11-8）是一种化学化合物，分子式为C20H19BrN2O3S，分子量为446.03 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。
ethyl 4-bromo-9-methyl-10-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate
又称：ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate, F1601-0370, ethyl 4-bromo-9-methyl-10-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-triene-13-carboxylate, ethyl 4-bromo-9-methyl-10-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate, ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate
| 分子式 | C20H19BrN2O3S |
|---|---|
| 分子量 | 446.03 g/mol |
| LogP | 4.1728 |
| 拓扑极性表面积 | 50.8 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 3 |
| 精确质量 | 446.02997 |
| 重原子数 | 27 |
| 复杂度 | 907.35474 |
化学标识符
| CAS 编号 | 1005038-11-8 |
|---|---|
| SMILES | CCOC(=O)C1C2C3=C(C=CC(=C3)Br)OC1(N(C(=S)N2)C4=CC=CC=C4)C |
产品概述
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate（CAS 1005038-11-8），分子式为C20H19BrN2O3S，分子量为446.03 g/mol。IUPAC名：ethyl 4-bromo-9-methyl-10-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate。
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate化学性质概览
属性洞察：ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate的XLogP值为4.1728，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。 ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate的拓扑极性表面积（TPSA）为50.8 Ų，极性较低，可能具有较好的细胞膜透过性。 根据Lipinski五规则，ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate有1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
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate的CAS号是多少？
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate的CAS号为1005038-11-8。
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate的分子式是什么？
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate的分子式为C20H19BrN2O3S。
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate的分子量是多少？
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate的分子量为446.03 g/mol。
在哪里可以购买ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate？
您可以直接向科弘生物询价ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate。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ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate的定制合成服务？
是的，科弘生物提供ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate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。