Tuna AI
TL;DR: Tuna AI (CAS 117620-76-5) is a chemical compound with molecular formula C44H64N12O12 and molecular weight 952.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]butanedioic acid
Also Known As: Tuna AI, Pro-thr-his-ile-lys-trp-gly-asp, H-Pro-Thr-His-Ile-Lys-Trp-Gly-Asp-OH, Prolyl-threonyl-histidyl-isoleucyl-lysyl-trptophyl-glycyl-aspartic acid, (2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]butanedioic acid
| Molecular Formula | C44H64N12O12 |
|---|---|
| Molecular Weight | 952.48 g/mol |
| LogP | -2.526 |
| Topological Polar Surface Area | 377.09 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 28 |
| Exact Mass | 952.4767 |
| Heavy Atoms | 68 |
| Complexity | 2161.6702 |
Chemical Identifiers
| CAS Number | 117620-76-5 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]4CCCN4 |
Product Overview
Tuna AI (CAS 117620-76-5), with molecular formula C44H64N12O12 and molecular weight 952.48 g/mol. IUPAC: (2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]butanedioic acid.
Chemical Property Profile of Tuna AI
Property Insights of Tuna AI
The XLogP value of -2.526 indicates that Tuna AI is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 377.09 Ų indicates high polarity, suggesting Tuna AI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tuna AI has 13 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tuna AI?
The CAS number of Tuna AI is 117620-76-5.
What is the molecular formula of Tuna AI?
The molecular formula of Tuna AI is C44H64N12O12.
What is the molecular weight of Tuna AI?
The molecular weight of Tuna AI is 952.48 g/mol.
Where can I buy Tuna AI?
You can request a quote for Tuna AI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tuna AI?
Yes, KEHONG BIO provides custom synthesis services for Tuna AI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.