Biotinyl-tryptophyl-leucyl-beta-alanine
TL;DR: Biotinyl-tryptophyl-leucyl-beta-alanine (CAS 127745-41-9) is a chemical compound with molecular formula C30H42N6O6S and molecular weight 614.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[3-(1H-indol-3-yl)-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
Also Known As: Biotinyl-trp-leu-beta-ala, Biotinyl-tryptophyl-leucyl-beta-alanine, 3-[[2-[[3-(1H-indol-3-yl)-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid, beta-Alanine, N-(N-(N-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-L-tryptophyl)-L-leucyl)-, (3aS-(3aalpha,4beta,6aalpha))-, beta-Alanine, N-[N-[N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-L-tryptophyl]-L-leucyl]-, [3aS-(3aalpha,4beta,6aalpha)]-
| Molecular Formula | C30H42N6O6S |
|---|---|
| Molecular Weight | 614.29 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 614.28864 |
| Heavy Atoms | 43 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 127745-41-9 |
|---|---|
| SMILES | CC(C)CC(C(=O)NCCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCCCC3C4C(CS3)NC(=O)N4 |
| InChIKey | WCIFOPWWEKJHQJ-UHFFFAOYSA-N |
Product Overview
Biotinyl-tryptophyl-leucyl-beta-alanine (CAS 127745-41-9), with molecular formula C30H42N6O6S and molecular weight 614.29 g/mol. IUPAC: 3-[[2-[[3-(1H-indol-3-yl)-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid.
Chemical Property Profile of Biotinyl-tryptophyl-leucyl-beta-alanine
Property Insights of Biotinyl-tryptophyl-leucyl-beta-alanine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Biotinyl-tryptophyl-leucyl-beta-alanine. The TPSA of 207.0 Ų indicates high polarity, suggesting Biotinyl-tryptophyl-leucyl-beta-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Biotinyl-tryptophyl-leucyl-beta-alanine has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Biotinyl-tryptophyl-leucyl-beta-alanine?
The CAS number of Biotinyl-tryptophyl-leucyl-beta-alanine is 127745-41-9.
What is the molecular formula of Biotinyl-tryptophyl-leucyl-beta-alanine?
The molecular formula of Biotinyl-tryptophyl-leucyl-beta-alanine is C30H42N6O6S.
What is the molecular weight of Biotinyl-tryptophyl-leucyl-beta-alanine?
The molecular weight of Biotinyl-tryptophyl-leucyl-beta-alanine is 614.29 g/mol.
Where can I buy Biotinyl-tryptophyl-leucyl-beta-alanine?
You can request a quote for Biotinyl-tryptophyl-leucyl-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Biotinyl-tryptophyl-leucyl-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for Biotinyl-tryptophyl-leucyl-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.