Boc-val-ala-leu-aib-val-ala-leu-aib-ome
TL;DR: Boc-val-ala-leu-aib-val-ala-leu-aib-ome (CAS 127378-19-2) is a chemical compound with molecular formula C42H76N8O11 and molecular weight 868.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoate
Also Known As: Boc-val-ala-leu-aib-val-ala-leu-aib-ome, t-Butyloxycarbonyl-valyl-alanyl-leucyl-2-aminoisobutyryl-valyl-alanyl-leucyl-2-aminoisobutyryl methyl ester, methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoate, 5-[(3-Fluoro-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Alanine, N-(N-(N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-L-alanyl)-L-leucyl)-2-methylalanyl)-L-valyl)-L-alanyl)-L-leucyl)-2-methyl-, methyl ester
| Molecular Formula | C42H76N8O11 |
|---|---|
| Molecular Weight | 868.56 g/mol |
| LogP | 1.7103 |
| Topological Polar Surface Area | 268.33 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 22 |
| Exact Mass | 868.56335 |
| Heavy Atoms | 61 |
| Complexity | 1569.633 |
Chemical Identifiers
| CAS Number | 127378-19-2 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C |
Product Overview
Boc-val-ala-leu-aib-val-ala-leu-aib-ome (CAS 127378-19-2), with molecular formula C42H76N8O11 and molecular weight 868.56 g/mol. IUPAC: methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoate.
Chemical Property Profile of Boc-val-ala-leu-aib-val-ala-leu-aib-ome
Property Insights of Boc-val-ala-leu-aib-val-ala-leu-aib-ome
The XLogP value of 1.7103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-val-ala-leu-aib-val-ala-leu-aib-ome. The TPSA of 268.33 Ų indicates high polarity, suggesting Boc-val-ala-leu-aib-val-ala-leu-aib-ome may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-val-ala-leu-aib-val-ala-leu-aib-ome has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Boc-val-ala-leu-aib-val-ala-leu-aib-ome?
The CAS number of Boc-val-ala-leu-aib-val-ala-leu-aib-ome is 127378-19-2.
What is the molecular formula of Boc-val-ala-leu-aib-val-ala-leu-aib-ome?
The molecular formula of Boc-val-ala-leu-aib-val-ala-leu-aib-ome is C42H76N8O11.
What is the molecular weight of Boc-val-ala-leu-aib-val-ala-leu-aib-ome?
The molecular weight of Boc-val-ala-leu-aib-val-ala-leu-aib-ome is 868.56 g/mol.
Where can I buy Boc-val-ala-leu-aib-val-ala-leu-aib-ome?
You can request a quote for Boc-val-ala-leu-aib-val-ala-leu-aib-ome directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-val-ala-leu-aib-val-ala-leu-aib-ome?
Yes, KEHONG BIO provides custom synthesis services for Boc-val-ala-leu-aib-val-ala-leu-aib-ome and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.