TL;DR: H-Abu-Abu-Asn-Tyr-Abu-OCH3 (CAS 123951-94-0) is a chemical compound with molecular formula C26H40N6O8 and molecular weight 564.2908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminobutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
Also Known As: H-Abu-Abu-Asn-Tyr-Abu-OCH3, Butanoic acid, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-, methyl ester, H-alpha-Aminobutyric acid-alpha-Aminobutyric acid-Asn-Tyr-alpha-Aminobutyric acid-OCH3, L-Threoninamide,L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-(9CI), methyl (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminobutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
| Molecular Formula | C26H40N6O8 |
| Molecular Weight | 564.2908 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 232.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 564.2908 Da |
| Heavy Atoms | 40 |
| Complexity | 892.0 |
| SMILES | CC[C@@H](C(=O)N[C@@H](CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC)C(=O)OC)N |
| InChIKey | QUNVFBSOEZGKNZ-HVTWWXFQSA-N |
The XLogP value of -0.1 indicates that H-Abu-Abu-Asn-Tyr-Abu-OCH3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.0 Ų indicates high polarity, suggesting H-Abu-Abu-Asn-Tyr-Abu-OCH3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Abu-Abu-Asn-Tyr-Abu-OCH3 has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of H-Abu-Abu-Asn-Tyr-Abu-OCH3 is 123951-94-0.
The molecular formula of H-Abu-Abu-Asn-Tyr-Abu-OCH3 is C26H40N6O8.
The molecular weight of H-Abu-Abu-Asn-Tyr-Abu-OCH3 is 564.2908 g/mol.
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