Trichotoxin A40
TL;DR: Trichotoxin A40 (CAS 65216-21-9) is a chemical compound with molecular formula C80H139N19O22 and molecular weight 1718.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[[2-[[(2S)-2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-[[1-[[1-[[1-[[(2S)-1-[[1-[[1-[(2S)-2-[[(2S)-1-[[1-[[(2R)-1-[[(2S)-5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Trichotoxin A40, Trichotoxin A 40, (4S)-4-[[2-[[(2S)-2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-[[1-[[1-[[1-[[(2S)-1-[[1-[[1-[(2S)-2-[[(2S)-1-[[1-[[(2R)-1-[[(2S)-5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C80H139N19O22 |
|---|---|
| Molecular Weight | 1718.03 g/mol |
| LogP | -2.7489 |
| Topological Polar Surface Area | 615.63 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 47 |
| Exact Mass | 1718.0342 |
| Heavy Atoms | 121 |
| Complexity | 3863.3398 |
Chemical Identifiers
| CAS Number | 65216-21-9 |
|---|---|
| SMILES | CC[C@](C)(C(=O)N[C@@H](CCC(=O)N)C(=O)NC(CO)C(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C |
Product Overview
Trichotoxin A40 (CAS 65216-21-9), with molecular formula C80H139N19O22 and molecular weight 1718.03 g/mol. IUPAC: (4S)-4-[[2-[[(2S)-2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-[[1-[[1-[[1-[[(2S)-1-[[1-[[1-[(2S)-2-[[(2S)-1-[[1-[[(2R)-1-[[(2S)-5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Trichotoxin A40
Property Insights of Trichotoxin A40
The XLogP value of -2.7489 indicates that Trichotoxin A40 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 615.63 Ų indicates high polarity, suggesting Trichotoxin A40 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trichotoxin A40 has 20 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trichotoxin A40?
The CAS number of Trichotoxin A40 is 65216-21-9.
What is the molecular formula of Trichotoxin A40?
The molecular formula of Trichotoxin A40 is C80H139N19O22.
What is the molecular weight of Trichotoxin A40?
The molecular weight of Trichotoxin A40 is 1718.03 g/mol.
Where can I buy Trichotoxin A40?
You can request a quote for Trichotoxin A40 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichotoxin A40?
Yes, KEHONG BIO provides custom synthesis services for Trichotoxin A40 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.