TL;DR: Cyclo(Gln-Trp-Phe-Gly-Leu-Met) (CAS 125989-12-0) is a chemical compound with molecular formula C38H50N8O7S and molecular weight 762.3523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S,8S,14S,17S)-8-benzyl-5-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-17-(2-methylsulfanylethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propanamide
Also Known As: Cyclo(gln-trp-phe-gly-leu-met), Cyclo(-Gln-Trp-Phe-Gly-Leu-Met), L 659877, L-659877, SID:126522438
| Molecular Formula | C38H50N8O7S |
| Molecular Weight | 762.3523 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 259.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 762.3523 Da |
| Heavy Atoms | 54 |
| Complexity | 1330.0 |
| SMILES | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NCC(=O)N1)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)CCC(=O)N)CCSC |
| InChIKey | HOUZPIDCIQWWLS-FGHIVKBXSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclo(Gln-Trp-Phe-Gly-Leu-Met). The TPSA of 259.0 Ų indicates high polarity, suggesting Cyclo(Gln-Trp-Phe-Gly-Leu-Met) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclo(Gln-Trp-Phe-Gly-Leu-Met) has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cyclo(Gln-Trp-Phe-Gly-Leu-Met) is 125989-12-0.
The molecular formula of Cyclo(Gln-Trp-Phe-Gly-Leu-Met) is C38H50N8O7S.
The molecular weight of Cyclo(Gln-Trp-Phe-Gly-Leu-Met) is 762.3523 g/mol.
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