Neurokinin antagonist 1
TL;DR: Neurokinin antagonist 1 (CAS 214487-45-3) is a chemical compound with molecular formula C38H40N4O3 and molecular weight 600.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1R,2S)-2-[[(2R)-2-[methyl-[2-(4-methylphenyl)acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]cyclohexyl]-1H-indole-3-carboxamide
Also Known As: Neurokinin antagonist 1, HY-U00320, MEN 11467, 1H-Indole-3-carboxamide, N-[(1R,2S)-2-[[(2R)-2-[methyl[2-(4-methylphenyl)acetyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]cyclohexyl]-, N-[(1R,2S)-2-[[(2R)-2-[methyl-[2-(4-methylphenyl)acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]cyclohexyl]-1H-indole-3-carboxamide
| Molecular Formula | C38H40N4O3 |
|---|---|
| Molecular Weight | 600.31 g/mol |
| LogP | 6.09912 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 600.31006 |
| Heavy Atoms | 45 |
| Complexity | 1826.243 |
Chemical Identifiers
| CAS Number | 214487-45-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(=O)N(C)[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@H]4CCCC[C@H]4NC(=O)C5=CNC6=CC=CC=C65 |
Product Overview
Neurokinin antagonist 1 (CAS 214487-45-3), with molecular formula C38H40N4O3 and molecular weight 600.31 g/mol. IUPAC: N-[(1R,2S)-2-[[(2R)-2-[methyl-[2-(4-methylphenyl)acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]cyclohexyl]-1H-indole-3-carboxamide.
Chemical Property Profile of Neurokinin antagonist 1
Property Insights of Neurokinin antagonist 1
The XLogP value of 6.09912 indicates that Neurokinin antagonist 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Neurokinin antagonist 1. Following Lipinski's Rule of Five, Neurokinin antagonist 1 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neurokinin antagonist 1?
The CAS number of Neurokinin antagonist 1 is 214487-45-3.
What is the molecular formula of Neurokinin antagonist 1?
The molecular formula of Neurokinin antagonist 1 is C38H40N4O3.
What is the molecular weight of Neurokinin antagonist 1?
The molecular weight of Neurokinin antagonist 1 is 600.31 g/mol.
Where can I buy Neurokinin antagonist 1?
You can request a quote for Neurokinin antagonist 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neurokinin antagonist 1?
Yes, KEHONG BIO provides custom synthesis services for Neurokinin antagonist 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.