TL;DR: Lactoferroxin-B (CAS 13750-84-0) is a chemical compound with molecular formula C36H46N8O9 and molecular weight 734.33875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoate
Also Known As: Lactoferroxin B, Lactoferroxin-B, Lactoferrin, Arg-tyr-tyr-gly-tyr-och3, Lactoferrin (536-540)
| Molecular Formula | C36H46N8O9 |
| Molecular Weight | 734.33875 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 294.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Exact Mass | 734.33875 Da |
| Heavy Atoms | 53 |
| Complexity | 1210.0 |
| SMILES | COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCN=C(N)N)N |
| InChIKey | TVVXTCVKGUHNLI-KRCBVYEFSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lactoferroxin-B. The TPSA of 294.0 Ų indicates high polarity, suggesting Lactoferroxin-B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lactoferroxin-B has 10 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Lactoferroxin-B is 13750-84-0.
The molecular formula of Lactoferroxin-B is C36H46N8O9.
The molecular weight of Lactoferroxin-B is 734.33875 g/mol.
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