[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
概要:[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate(CAS 1012620-82-4)是一种化学化合物,分子式为C21H22ClN3O5S2,分子量为495.07 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-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
又称:[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
| 分子式 | C21H22ClN3O5S2 |
|---|---|
| 分子量 | 495.07 g/mol |
| LogP | 3.58788 |
| 拓扑极性表面积 | 116.57 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 7 |
| 可旋转键数 | 6 |
| 精确质量 | 495.06894 |
| 重原子数 | 32 |
| 复杂度 | 1198.7478 |
化学标识符
| CAS 编号 | 1012620-82-4 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N |
产品概述
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate(CAS 1012620-82-4),分子式为C21H22ClN3O5S2,分子量为495.07 g/mol。IUPAC名:[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate。
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate化学性质概览
属性洞察:[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate的XLogP值为3.58788,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116.57 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,[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate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
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate的CAS号是多少?
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate的CAS号为1012620-82-4。
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate的分子式是什么?
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate的分子式为C21H22ClN3O5S2。
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate的分子量是多少?
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate的分子量为495.07 g/mol。
在哪里可以购买[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
您可以直接向科弘生物询价[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate。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[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate的定制合成服务?
是的,科弘生物提供[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate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。