TL;DR: Enkephalin-leu methyl ester, ala(2)-cyclopropyl-phe(4)- (CAS 117783-82-1) is a chemical compound with molecular formula C31H41N5O7 and molecular weight 595.3006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-6-(1-aminocyclopropyl)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-4-methyl-6-oxo-2-phenylhexanoate
Also Known As: CP-Ome-enkephalin, 3-Methyl-6-ethyl-2-isobutylpyrazine, 2-Ala-4-cyclopropyl-phe-leu-enkephalin methyl ester, Enkephalin-leu methyl ester, ala(2)-cyclopropyl-phe(4)-, Leu-enkephalin methyl ester, ala(2)-cyclopropyl-phe(4)-
| Molecular Formula | C31H41N5O7 |
| Molecular Weight | 595.3006 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 203.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 595.3006 Da |
| Heavy Atoms | 43 |
| Complexity | 1000.0 |
| SMILES | C[C@H](C(=O)NCC(=O)N[C@](CC(C)CC(=O)C1(CC1)N)(C2=CC=CC=C2)C(=O)OC)NC(=O)[C@H](CC3=CC=C(C=C3)O)N |
| InChIKey | NTCJYJMDXGFSIF-JZZRHYRJSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Enkephalin-leu methyl ester, ala(2)-cyclopropyl-phe(4)-. The TPSA of 203.0 Ų indicates high polarity, suggesting Enkephalin-leu methyl ester, ala(2)-cyclopropyl-phe(4)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Enkephalin-leu methyl ester, ala(2)-cyclopropyl-phe(4)- has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Enkephalin-leu methyl ester, ala(2)-cyclopropyl-phe(4)- is 117783-82-1.
The molecular formula of Enkephalin-leu methyl ester, ala(2)-cyclopropyl-phe(4)- is C31H41N5O7.
The molecular weight of Enkephalin-leu methyl ester, ala(2)-cyclopropyl-phe(4)- is 595.3006 g/mol.
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