Meclinertant
TL;DR: Meclinertant (CAS 146362-70-1) is a chemical compound with molecular formula C32H31ClN4O5 and molecular weight 586.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
Also Known As: Meclinertant, Reminertant, meclinertantum, Meclinertant [INN], nor-Binaltorphimine dihydrochloride
| Molecular Formula | C32H31ClN4O5 |
|---|---|
| Molecular Weight | 586.20 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 586.1983 |
| Heavy Atoms | 42 |
| Complexity | 991.0 |
Chemical Identifiers
| CAS Number | 146362-70-1 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O |
| InChIKey | DYLJVOXRWLXDIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Meclinertant (CAS 146362-70-1), with molecular formula C32H31ClN4O5 and molecular weight 586.20 g/mol. IUPAC: 2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid.
Chemical Property Profile of Meclinertant
Property Insights of Meclinertant
The XLogP value of 5.8 indicates that Meclinertant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Meclinertant. Following Lipinski's Rule of Five, Meclinertant has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Meclinertant?
The CAS number of Meclinertant is 146362-70-1.
What is the molecular formula of Meclinertant?
The molecular formula of Meclinertant is C32H31ClN4O5.
What is the molecular weight of Meclinertant?
The molecular weight of Meclinertant is 586.20 g/mol.
Where can I buy Meclinertant?
You can request a quote for Meclinertant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Meclinertant?
Yes, KEHONG BIO provides custom synthesis services for Meclinertant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.