![Thyl)amino]butyl]- structure](/static/products/4045/404586-84-1.webp)
Thyl)amino]butyl]-
TL;DR: Thyl)amino]butyl]- (CAS 404586-84-1) is a chemical compound with molecular formula C41H67N15O11 and molecular weight 945.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-6-(diaminomethylideneamino)-2-oxohexanamide
Also Known As: thyl)amino]butyl]-, (3S)-3-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-6-(diaminomethylideneamino)-2-oxohexanamide, L-argininamide, N-acetyl-L-phenylalanyl-L-alanyl-L-alanylglycyl-N-[(1S)-1-[2-[[(1S)-2-[[(1S)-1-(aminocarbonyl)-3-methylbutyl]amino]-1-(hydroxymethyl)-2-oxoethyl]amino]-1,2-dioxoethyl]-4-[(aminoiminome, L-Leucinamide, N-acetyl-L-phenylalanyl-L-alanyl-L-alanylglycyl-L-arginyl-(3S)-3-amino-6-[(aminoiminomethyl)amino]-2-oxohexanoyl-L-seryl- (9CI), N-Acetyl-L-phenylalanyl-L-alanyl-L-alanylglycyl-N-{(3S)-1-{[(2S)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-1-oxopropan-2-yl]amino}-6-[(diaminomethylidene)amino]-1,2-dioxohexan-3-yl}-N~5~-(diaminomethylidene)-L-ornithinamide
| Molecular Formula | C41H67N15O11 |
|---|---|
| Molecular Weight | 945.51 g/mol |
| LogP | -6.0014 |
| Topological Polar Surface Area | 441.99 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 30 |
| Exact Mass | 945.51447 |
| Heavy Atoms | 67 |
| Complexity | 1940.0873 |
Chemical Identifiers
| CAS Number | 404586-84-1 |
|---|---|
| SMILES | C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C |
Product Overview
Thyl)amino]butyl]- (CAS 404586-84-1), with molecular formula C41H67N15O11 and molecular weight 945.51 g/mol. IUPAC: (3S)-3-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-6-(diaminomethylideneamino)-2-oxohexanamide.
Chemical Property Profile of Thyl)amino]butyl]-
Property Insights of Thyl)amino]butyl]-
The XLogP value of -6.0014 indicates that Thyl)amino]butyl]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 441.99 Ų indicates high polarity, suggesting Thyl)amino]butyl]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thyl)amino]butyl]- has 14 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thyl)amino]butyl]-?
The CAS number of Thyl)amino]butyl]- is 404586-84-1.
What is the molecular formula of Thyl)amino]butyl]-?
The molecular formula of Thyl)amino]butyl]- is C41H67N15O11.
What is the molecular weight of Thyl)amino]butyl]-?
The molecular weight of Thyl)amino]butyl]- is 945.51 g/mol.
Where can I buy Thyl)amino]butyl]-?
You can request a quote for Thyl)amino]butyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thyl)amino]butyl]-?
Yes, KEHONG BIO provides custom synthesis services for Thyl)amino]butyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.