TL;DR: Enkephalin, pen(2,5)-4'-iodo-phe(4)- (CAS 135108-10-0) is a chemical compound with molecular formula C30H38IN5O7S2 and molecular weight 771.12573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4S)-4-amino-2-[[(Z)-2-amino-3-(4-iodophenyl)prop-2-enoyl]-[2-[[(2S)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]acetyl]amino]-5-(4-hydroxyphenyl)-3-oxo-2-(2-sulfanylpropan-2-yl)pentanoic acid
Also Known As: Iodo-dpdpe, (p-I-Phe(4)) dpdpe, Enkephalin, pen(2,5)-4'-iodo-phe(4)-, 2,5-Pen-4-(4-I-pen)-enkephalin, Enkephalin, D-pen(2), D-pen(5), p-I-phe(4)
| Molecular Formula | C30H38IN5O7S2 |
| Molecular Weight | 771.12573 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 221.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 771.12573 Da |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
| SMILES | CC(C)([C@H](C(=O)NCC(=O)N(C(=O)/C(=C/C1=CC=C(C=C1)I)/N)[C@@](C(=O)[C@H](CC2=CC=C(C=C2)O)N)(C(=O)O)C(C)(C)S)N)S |
| InChIKey | RWDPNBADSCMYQU-CMRLOBSVSA-N |
The XLogP value of -0.1 indicates that Enkephalin, pen(2,5)-4'-iodo-phe(4)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 221.0 Ų indicates high polarity, suggesting Enkephalin, pen(2,5)-4'-iodo-phe(4)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Enkephalin, pen(2,5)-4'-iodo-phe(4)- has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Enkephalin, pen(2,5)-4'-iodo-phe(4)- is 135108-10-0.
The molecular formula of Enkephalin, pen(2,5)-4'-iodo-phe(4)- is C30H38IN5O7S2.
The molecular weight of Enkephalin, pen(2,5)-4'-iodo-phe(4)- is 771.12573 g/mol.
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