Neurokinin-1 Receptor Antagonist
TL;DR: Neurokinin-1 Receptor Antagonist (CAS 337505-63-2) is a chemical compound with molecular formula C21H16ClN5OS and molecular weight 421.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: Neurokinin-1 Receptor Antagonist, Substance P Receptor Blocker, Substance P Receptor Blockers, Neurokinin 1 Receptor Blocker, Neurokinin-1 Receptor Blocker
| Molecular Formula | C21H16ClN5OS |
|---|---|
| Molecular Weight | 421.08 g/mol |
| LogP | 4.7135 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.07642 |
| Heavy Atoms | 29 |
| Complexity | 1118.3967 |
Chemical Identifiers
| CAS Number | 337505-63-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Cl)C4=CC=NC=C4 |
Product Overview
Neurokinin-1 Receptor Antagonist (CAS 337505-63-2), with molecular formula C21H16ClN5OS and molecular weight 421.08 g/mol. IUPAC: N-(3-chlorophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of Neurokinin-1 Receptor Antagonist
Property Insights of Neurokinin-1 Receptor Antagonist
The XLogP value of 4.7135 indicates that Neurokinin-1 Receptor Antagonist is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Neurokinin-1 Receptor Antagonist. Following Lipinski's Rule of Five, Neurokinin-1 Receptor Antagonist has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neurokinin-1 Receptor Antagonist?
The CAS number of Neurokinin-1 Receptor Antagonist is 337505-63-2.
What is the molecular formula of Neurokinin-1 Receptor Antagonist?
The molecular formula of Neurokinin-1 Receptor Antagonist is C21H16ClN5OS.
What is the molecular weight of Neurokinin-1 Receptor Antagonist?
The molecular weight of Neurokinin-1 Receptor Antagonist is 421.08 g/mol.
Where can I buy Neurokinin-1 Receptor Antagonist?
You can request a quote for Neurokinin-1 Receptor Antagonist directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neurokinin-1 Receptor Antagonist?
Yes, KEHONG BIO provides custom synthesis services for Neurokinin-1 Receptor Antagonist and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.