TL;DR: L-688,786 prodrug - 8g (CAS 138661-18-4) is a chemical compound with molecular formula C53H86ClN9O18 and molecular weight 1171.5779 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(10,12-dimethyltetradecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]phenyl] 3-aminopropanoate;hydrochloride
Also Known As: L-688,786 prodrug - 8g, L-Proline, N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-, cyclic (6>1)-peptide, 4-ester with b-alanine, monohydrochloride, trans-, [4-[2-[(3-amino-1-hydroxy-3-oxo-propyl)-(10,12-dimethyltetradecanoylamino)-tetrahydroxy-(1-hydroxyethyl)-hexaoxo-[?]yl]-1,2-dihydroxy-ethyl]phenyl] 3-aminopropanoate, L-Proline, N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-, cyclic (6(R)1)-peptide, 4-ester with b-alanine, monohydrochloride, trans-
| Molecular Formula | C53H86ClN9O18 |
| Molecular Weight | 1171.5779 g/mol |
| XLogP | -3.3709 |
| Topological Polar Surface Area (TPSA) | 443.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Exact Mass | 1171.5779 Da |
| Heavy Atoms | 81 |
| Complexity | 2090.0 |
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)OC(=O)CCN)O)O)C(CC(=O)N)O)O)O)O.Cl |
| InChIKey | IUJKTRPPNXFQPH-UHFFFAOYSA-N |
The XLogP value of -3.3709 indicates that L-688,786 prodrug - 8g is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 443.0 Ų indicates high polarity, suggesting L-688,786 prodrug - 8g may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-688,786 prodrug - 8g has 16 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-688,786 prodrug - 8g is 138661-18-4.
The molecular formula of L-688,786 prodrug - 8g is C53H86ClN9O18.
The molecular weight of L-688,786 prodrug - 8g is 1171.5779 g/mol.
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