Acetic acid,(acetylthio)-,pentafluorophenyl ester
概要：Acetic acid,(acetylthio)-,pentafluorophenyl ester（CAS 129816-92-8）是一种化学化合物，分子式为C61H100N10O13，分子量为1180.75 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-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]-N,N-diethylacetamide
又称：Acetic acid,(acetylthio)-,pentafluorophenyl ester, L-Tyrosine, N-(N-(N-(N-(N-(N,N-diethyl-N2-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N2-methyl-L-asparaginyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (R-(R*,S*))-, 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl], 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]-N,N-diethylacetamide, 2-[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-12,15-bis[(2S)-butan-2-yl]-24-[(4-methoxyphenyl)methyl]-2,8,11,14,20,27-hexamethyl-1,4,7,10,13,16,19,22,25,28-decaoxo-3,6,21-tris(propan-2-yl)-dotriacontahydropyrido[1,2-d]1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl]-N,N-diethylacetamide
| 分子式 | C61H100N10O13 |
|---|---|
| 分子量 | 1180.75 g/mol |
| LogP | 6.1 |
| 拓扑极性表面积 | 265.0 Ų |
| 氢键供体数 | 3 |
| 氢键受体数 | 13 |
| 可旋转键数 | 14 |
| 精确质量 | 1180.7472 |
| 重原子数 | 84 |
| 复杂度 | 2290.0 |
化学标识符
| CAS 编号 | 129816-92-8 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)NCC(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N2CCCC[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)[C@@H](C)CC)C)CC(=O)N(CC)CC)C)C(C)C)C(C)C)C)C)CC3=CC=C(C=C3)OC)C(C)C)C |
| InChIKey | DQFWBGMQIGSEOT-XUHIFJSHSA-N |
产品概述
Acetic acid,(acetylthio)-,pentafluorophenyl ester（CAS 129816-92-8），分子式为C61H100N10O13，分子量为1180.75 g/mol。IUPAC名：2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]-N,N-diethylacetamide。
Acetic acid,(acetylthio)-,pentafluorophenyl ester化学性质概览
属性洞察：Acetic acid,(acetylthio)-,pentafluorophenyl ester
Acetic acid,(acetylthio)-,pentafluorophenyl ester的XLogP值为6.1，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265.0 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，Acetic acid,(acetylthio)-,pentafluorophenyl ester有3个氢键供体和13个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
Acetic acid,(acetylthio)-,pentafluorophenyl ester的CAS号是多少？
Acetic acid,(acetylthio)-,pentafluorophenyl ester的CAS号为129816-92-8。
Acetic acid,(acetylthio)-,pentafluorophenyl ester的分子式是什么？
Acetic acid,(acetylthio)-,pentafluorophenyl ester的分子式为C61H100N10O13。
Acetic acid,(acetylthio)-,pentafluorophenyl ester的分子量是多少？
Acetic acid,(acetylthio)-,pentafluorophenyl ester的分子量为1180.75 g/mol。
在哪里可以购买Acetic acid,(acetylthio)-,pentafluorophenyl ester？
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