Allotrap
TL;DR: Allotrap (CAS 151232-75-6) is a chemical compound with molecular formula C53H90N20O16 and molecular weight 1262.6843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
Also Known As: Allotrap, Peptide Bc-1nl, ALLOTRAP 07, HLA-B7.75-84, (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
Technical Specifications
| Molecular Formula | C53H90N20O16 |
| Molecular Weight | 1262.6843 g/mol |
| XLogP | -8.5 |
| Topological Polar Surface Area (TPSA) | 639.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 43 |
| Exact Mass | 1262.6843 Da |
| Heavy Atoms | 89 |
| Complexity | 2460.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)N |
| InChIKey | KXASYRUYKYOKGG-IWLMWFOOSA-N |
Chemical Property Profile of Allotrap
Property Insights of Allotrap
The XLogP value of -8.5 indicates that Allotrap is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 639.0 Ų indicates high polarity, suggesting Allotrap may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Allotrap has 21 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Allotrap?
The CAS number of Allotrap is 151232-75-6.
What is the molecular formula of Allotrap?
The molecular formula of Allotrap is C53H90N20O16.
What is the molecular weight of Allotrap?
The molecular weight of Allotrap is 1262.6843 g/mol.
Where can I buy Allotrap?
You can request a quote for Allotrap directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allotrap?
Yes, CoreyChem provides custom synthesis services for Allotrap and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.