Acetic acid,(acetylthio)-,pentafluorophenyl ester
TL;DR: Acetic acid,(acetylthio)-,pentafluorophenyl ester (CAS 129816-92-8) is a chemical compound with molecular formula C61H100N10O13 and molecular weight 1180.7472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Also Known As: 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
Technical Specifications
| Molecular Formula | C61H100N10O13 |
| Molecular Weight | 1180.7472 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 265.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 1180.7472 Da |
| Heavy Atoms | 84 |
| Complexity | 2290.0 |
| 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 |
Chemical Property Profile of Acetic acid,(acetylthio)-,pentafluorophenyl ester
Property Insights of Acetic acid,(acetylthio)-,pentafluorophenyl ester
The XLogP value of 6.1 indicates that Acetic acid,(acetylthio)-,pentafluorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 265.0 Ų indicates high polarity, suggesting Acetic acid,(acetylthio)-,pentafluorophenyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid,(acetylthio)-,pentafluorophenyl ester has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Acetic acid,(acetylthio)-,pentafluorophenyl ester?
The CAS number of Acetic acid,(acetylthio)-,pentafluorophenyl ester is 129816-92-8.
What is the molecular formula of Acetic acid,(acetylthio)-,pentafluorophenyl ester?
The molecular formula of Acetic acid,(acetylthio)-,pentafluorophenyl ester is C61H100N10O13.
What is the molecular weight of Acetic acid,(acetylthio)-,pentafluorophenyl ester?
The molecular weight of Acetic acid,(acetylthio)-,pentafluorophenyl ester is 1180.7472 g/mol.
Where can I buy Acetic acid,(acetylthio)-,pentafluorophenyl ester?
You can request a quote for Acetic acid,(acetylthio)-,pentafluorophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid,(acetylthio)-,pentafluorophenyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid,(acetylthio)-,pentafluorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.