ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate
概要:ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate(CAS 451466-97-0)是一种化学化合物,分子式为C22H21ClN4O4S,分子量为472.10 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-[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]piperazine-1-carboxylate
又称:ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate, ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]piperazine-1-carboxylate, ethyl 4-[3-(7-chloro-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperazine-1-carboxylate, ethyl 4-(3-(7-chloro-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)benzoyl)piperazine-1-carboxylate
| 分子式 | C22H21ClN4O4S |
|---|---|
| 分子量 | 472.10 g/mol |
| LogP | 3.61599 |
| 拓扑极性表面积 | 87.64 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 3 |
| 精确质量 | 472.0972 |
| 重原子数 | 32 |
| 复杂度 | 1311.264 |
化学标识符
| CAS 编号 | 451466-97-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S |
产品概述
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate(CAS 451466-97-0),分子式为C22H21ClN4O4S,分子量为472.10 g/mol。IUPAC名:ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]piperazine-1-carboxylate。
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate化学性质概览
属性洞察:ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate的XLogP值为3.61599,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87.64 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,ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate有1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
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate的CAS号是多少?
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate的CAS号为451466-97-0。
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate的分子式是什么?
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate的分子式为C22H21ClN4O4S。
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate的分子量是多少?
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate的分子量为472.10 g/mol。
在哪里可以购买ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate?
您可以直接向科弘生物询价ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-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 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-carboxylate的定制合成服务?
是的,科弘生物提供ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoyl]piperazine-1-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。