3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one
概要：3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one（CAS 163162-28-5）是一种化学化合物，分子式为C31H42Cl2N2O3，分子量为560.26 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。
[(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]-3-methylbenzoate
又称：3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one, 17a-Aza-D-homoandrost-5-en-17-one, 3-((4-(bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-, (3-beta)-, (4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-1H,2H,3H,4H,4aH,4bH,5H,7H,8H,9H,10H,10aH,10bH,11H,12H,12aH-naphtho[2,1-f]quinolin-8-yl 4-[bis(2-chloroethyl)amino]-3-methylbenzoate, (4aS,4bR,8S,10aR,10bS,12aS)-2-Hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinolin-8-yl 4-[bis(2-chloroethyl)amino]-3-methylbenzoate, [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]-3-methylbenzoate
| 分子式 | C31H42Cl2N2O3 |
|---|---|
| 分子量 | 560.26 g/mol |
| LogP | 6.2 |
| 拓扑极性表面积 | 58.6 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 8 |
| 精确质量 | 560.25726 |
| 重原子数 | 38 |
| 复杂度 | 921.0 |
化学标识符
| CAS 编号 | 163162-28-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CCC(=O)N5)C)C)N(CCCl)CCCl |
| InChIKey | KGMZMNXZBWASRO-HWCIOBCZSA-N |
产品概述
3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one（CAS 163162-28-5），分子式为C31H42Cl2N2O3，分子量为560.26 g/mol。IUPAC名：[(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]-3-methylbenzoate。
3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one化学性质概览
属性洞察：3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one
3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one的XLogP值为6.2，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。 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one的拓扑极性表面积（TPSA）为58.6 Ų，极性较低，可能具有较好的细胞膜透过性。 根据Lipinski五规则，3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one有1个氢键供体和4个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one的CAS号是多少？
3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one的CAS号为163162-28-5。
3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one的分子式是什么？
3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one的分子式为C31H42Cl2N2O3。
3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one的分子量是多少？
3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one的分子量为560.26 g/mol。
在哪里可以购买3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one？
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科弘生物是否提供3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one的定制合成服务？
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