Pepticinnamin E
TL;DR: Pepticinnamin E (CAS 147317-36-0) is a chemical compound with molecular formula C49H54ClN5O10 and molecular weight 907.3559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-3,6-dioxopiperazin-2-yl]methyl (2R,4R)-2-benzyl-2-[[(2S)-3-(2-chloro-3-hydroxy-4-methoxyphenyl)-2-(methylamino)propanoyl]-methylamino]-5-(4-hydroxyphenyl)-3-oxo-4-[[(E)-3-[2-[(E)-pent-2-enyl]phenyl]prop-2-enoyl]amino]pentanoate
Also Known As: Pepticinnamin E, Pepticinnamine E, [(2R)-3,6-dioxopiperazin-2-yl]methyl (2R,4R)-2-benzyl-2-[[(2S)-3-(2-chloro-3-hydroxy-4-methoxyphenyl)-2-(methylamino)propanoyl]-methylamino]-5-(4-hydroxyphenyl)-3-oxo-4-[[(E)-3-[2-[(E)-pent-2-enyl]phenyl]prop-2-enoyl]amino]pentanoate, [(2R)-3,6-Dioxopiperazin-2-yl]methyl (2S)-2-[[(2S)-3-(2-chloro-3-hydroxy-4-methoxyphenyl)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enoyl]amino]propanoyl]-methylamino]propanoyl]-methylamino]-3-phenylpropanoate, L-Phenylalanine, N-(2-chloro-3-hydroxy-N,O-dimethyl-N-(N-(1-oxo-3-(2-(1-pentenyl)phenyl)-2-propenyl)-D-tyrosyl)tyrosyl)-N-methyl-, (3,6-dioxo-2-piperazinyl)methyl ester, (R-(E,Z))-
Technical Specifications
| Molecular Formula | C49H54ClN5O10 |
| Molecular Weight | 907.3559 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 22 |
| Exact Mass | 907.3559 Da |
| Heavy Atoms | 65 |
| Complexity | 1670.0 |
| SMILES | CC/C=C/CC1=CC=CC=C1/C=C/C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)[C@](CC3=CC=CC=C3)(C(=O)OC[C@@H]4C(=O)NCC(=O)N4)N(C)C(=O)[C@H](CC5=C(C(=C(C=C5)OC)O)Cl)NC |
| InChIKey | SGXHOALVNXPUDW-AZFZHSADSA-N |
Chemical Property Profile of Pepticinnamin E
Property Insights of Pepticinnamin E
The XLogP value of 6.5 indicates that Pepticinnamin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.0 Ų indicates high polarity, suggesting Pepticinnamin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pepticinnamin E has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pepticinnamin E?
The CAS number of Pepticinnamin E is 147317-36-0.
What is the molecular formula of Pepticinnamin E?
The molecular formula of Pepticinnamin E is C49H54ClN5O10.
What is the molecular weight of Pepticinnamin E?
The molecular weight of Pepticinnamin E is 907.3559 g/mol.
Where can I buy Pepticinnamin E?
You can request a quote for Pepticinnamin E directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pepticinnamin E?
Yes, CoreyChem provides custom synthesis services for Pepticinnamin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.