Neurokinin B (4-10)
TL;DR: Neurokinin B (4-10) (CAS 97559-39-2) is a chemical compound with molecular formula C40H58N8O9S and molecular weight 826.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: Neurokinin B (4-10), Nkb-(4-10), L-Methioninamide, L-alpha-aspartyl-L-phenylalanyl-L-valyglycyl-L-leucyl-, L-Asparaginyl-L-phenylalanyl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-methionine, RefChem:165561
| Molecular Formula | C40H58N8O9S |
|---|---|
| Molecular Weight | 826.40 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 306.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 25 |
| Exact Mass | 826.4047 |
| Heavy Atoms | 58 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 97559-39-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)N |
| InChIKey | DKXDSAPUJMKFEW-HWKKFYSMSA-N |
Product Overview
Neurokinin B (4-10) (CAS 97559-39-2), with molecular formula C40H58N8O9S and molecular weight 826.40 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of Neurokinin B (4-10)
Property Insights of Neurokinin B (4-10)
The XLogP value of -0.8 indicates that Neurokinin B (4-10) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 306.0 Ų indicates high polarity, suggesting Neurokinin B (4-10) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neurokinin B (4-10) has 9 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 Neurokinin B (4-10)?
The CAS number of Neurokinin B (4-10) is 97559-39-2.
What is the molecular formula of Neurokinin B (4-10)?
The molecular formula of Neurokinin B (4-10) is C40H58N8O9S.
What is the molecular weight of Neurokinin B (4-10)?
The molecular weight of Neurokinin B (4-10) is 826.40 g/mol.
Where can I buy Neurokinin B (4-10)?
You can request a quote for Neurokinin B (4-10) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neurokinin B (4-10)?
Yes, KEHONG BIO provides custom synthesis services for Neurokinin B (4-10) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.