TL;DR: Antho-riamide I (CAS 139026-54-3) is a chemical compound with molecular formula C30H43N7O6 and molecular weight 597.32745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]-3-methylpentanamide
Also Known As: Antho-riamide I, L-3-Phenyllactyl-tyr-arg-ile-NH2, L-3-Phenyllactyl-tyrosyl-arginyl-isoleucinamide, (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]-3-methylpentanamide, L-Isoleucinamide, N-(2-hydroxy-1-oxo-3-phenylpropyl)-L-tyrosyl-L-arginyl-, (S)-
| Molecular Formula | C30H43N7O6 |
| Molecular Weight | 597.32745 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 235.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 597.32745 Da |
| Heavy Atoms | 43 |
| Complexity | 930.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)O |
| InChIKey | UBOLUOWRWFHBRN-WCJQXVFBSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antho-riamide I. The TPSA of 235.0 Ų indicates high polarity, suggesting Antho-riamide I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antho-riamide I has 8 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Antho-riamide I is 139026-54-3.
The molecular formula of Antho-riamide I is C30H43N7O6.
The molecular weight of Antho-riamide I is 597.32745 g/mol.
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