Nelipepimut-S
TL;DR: Nelipepimut-S (CAS 160212-35-1) is a chemical compound with molecular formula C50H78N10O11 and molecular weight 994.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Also Known As: NELIPEPIMUT-S, Neuvax, NeuVax vaccine, E75 peptide, KIFGSLAFL
| Molecular Formula | C50H78N10O11 |
|---|---|
| Molecular Weight | 994.59 g/mol |
| LogP | -0.327 |
| Topological Polar Surface Area | 342.37 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 32 |
| Exact Mass | 994.58514 |
| Heavy Atoms | 71 |
| Complexity | 2042.2644 |
Chemical Identifiers
| CAS Number | 160212-35-1 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)N |
Product Overview
Nelipepimut-S (CAS 160212-35-1), with molecular formula C50H78N10O11 and molecular weight 994.59 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid.
Chemical Property Profile of Nelipepimut-S
Property Insights of Nelipepimut-S
The XLogP value of -0.327 indicates that Nelipepimut-S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 342.37 Ų indicates high polarity, suggesting Nelipepimut-S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nelipepimut-S has 12 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nelipepimut-S?
The CAS number of Nelipepimut-S is 160212-35-1.
What is the molecular formula of Nelipepimut-S?
The molecular formula of Nelipepimut-S is C50H78N10O11.
What is the molecular weight of Nelipepimut-S?
The molecular weight of Nelipepimut-S is 994.59 g/mol.
Where can I buy Nelipepimut-S?
You can request a quote for Nelipepimut-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nelipepimut-S?
Yes, KEHONG BIO provides custom synthesis services for Nelipepimut-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.