Neurokinin B
TL;DR: Neurokinin B (CAS 117505-80-3) is a chemical compound with molecular formula C55H79N13O14S2 and molecular weight 1209.5311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Neurokinin B, Neurokinin beta, Neuromedin K, NEUROKININ K, Porcine neurokinin B
Technical Specifications
| Molecular Formula | C55H79N13O14S2 |
| Molecular Weight | 1209.5311 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 485.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 38 |
| Exact Mass | 1209.5311 Da |
| Heavy Atoms | 84 |
| Complexity | 2220.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)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)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)N |
| InChIKey | NHXYSAFTNPANFK-HDMCBQFHSA-N |
Chemical Property Profile of Neurokinin B
Property Insights of Neurokinin B
The XLogP value of -1.6 indicates that Neurokinin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 485.0 Ų indicates high polarity, suggesting Neurokinin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neurokinin B has 14 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Neurokinin B?
The CAS number of Neurokinin B is 117505-80-3.
What is the molecular formula of Neurokinin B?
The molecular formula of Neurokinin B is C55H79N13O14S2.
What is the molecular weight of Neurokinin B?
The molecular weight of Neurokinin B is 1209.5311 g/mol.
Where can I buy Neurokinin B?
You can request a quote for Neurokinin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neurokinin B?
Yes, CoreyChem provides custom synthesis services for Neurokinin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.