Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) structure

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)

概要:Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)(CAS 156693-49-1)是一种化学化合物,分子式为C41H50N2O10,分子量为730.35 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。

(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;(9-ethyl-1-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)-hexylcarbamic acid

又称:Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1), (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(2-ethyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)(hexyl)carbamic acid (1/1), 2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(2-ethyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)hexylcarbamic acid (1/1), RefChem:332458

CAS: 156693-49-1
分子式 C41H50N2O10
分子量 730.35 g/mol
LogP 7.40304
拓扑极性表面积 170.98 Ų
氢键供体数 3
氢键受体数 8
可旋转键数 14
精确质量 730.34656
重原子数 53
复杂度 1698.635

化学标识符

CAS 编号 156693-49-1
SMILES CCCCCCN(C1=CC2=C(C=C1)C3CC2(CCN3CC)C)C(=O)O.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O

产品概述

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)(CAS 156693-49-1),分子式为C41H50N2O10,分子量为730.35 g/mol。IUPAC名:(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;(9-ethyl-1-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)-hexylcarbamic acid

🧪
安全数据表(MSDS / SDS) 在PubChem上查看实验室化学品安全摘要(LCSS)——包含GHS分类、危险说明、急救措施和操作注意事项。
查看MSDS →

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)化学性质概览

XLogP(分配系数)
7.40304
TPSA(拓扑极性表面积)
170.98
氢键供体数
3
氢键受体数
8
可旋转键数
14
重原子数
53
复杂度
1698.635
精确质量
730.34656
单同位素质量
730.34656
数据来源: 化学性质数据引用自 PubChem,由美国国家医学图书馆(NLM)下属的国家生物技术信息中心(NCBI)维护的全球最大开放化学数据库。

属性洞察:Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)的XLogP值为7.40304,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170.98 Ų,极性较高,提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则,Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)有3个氢键供体和8个氢键受体,可能需要考虑配方优化。

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常见问题

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)的CAS号是多少?

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)的CAS号为156693-49-1。

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)的分子式是什么?

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)的分子式为C41H50N2O10。

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)的分子量是多少?

Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)的分子量为730.35 g/mol。

在哪里可以购买Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)?

您可以直接向科弘生物询价Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)。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Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)的定制合成服务?

是的,科弘生物提供Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)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。

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