Cloquintocet-mexyl
TL;DR: Cloquintocet-mexyl (CAS 99607-70-2) is a chemical compound with molecular formula C18H22ClNO3 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
Also Known As: Cloquintocet-mexyl, Cloquintocet mexyl, Cloquintocetmexyl, cloquitocet_mexyl, Cloquintocet-mexyl [ISO]
| Molecular Formula | C18H22ClNO3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 335.1288 |
| Heavy Atoms | 23 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 99607-70-2 |
|---|---|
| SMILES | CCCCCC(C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2 |
| InChIKey | COYBRKAVBMYYSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cloquintocet-mexyl (CAS 99607-70-2), with molecular formula C18H22ClNO3 and molecular weight 335.13 g/mol. IUPAC: heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate.
Chemical Property Profile of Cloquintocet-mexyl
Property Insights of Cloquintocet-mexyl
The XLogP value of 5.5 indicates that Cloquintocet-mexyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.4 Ų, Cloquintocet-mexyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cloquintocet-mexyl has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cloquintocet-mexyl?
The CAS number of Cloquintocet-mexyl is 99607-70-2.
What is the molecular formula of Cloquintocet-mexyl?
The molecular formula of Cloquintocet-mexyl is C18H22ClNO3.
What is the molecular weight of Cloquintocet-mexyl?
The molecular weight of Cloquintocet-mexyl is 335.13 g/mol.
Where can I buy Cloquintocet-mexyl?
You can request a quote for Cloquintocet-mexyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cloquintocet-mexyl?
Yes, KEHONG BIO provides custom synthesis services for Cloquintocet-mexyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.