HX99TLK8DF
TL;DR: HX99TLK8DF (CAS 69982-18-9) is a chemical compound with molecular formula C21H33ClN2O5S and molecular weight 460.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole;methanesulfonic acid
Also Known As: Win-41258-3, 1H-Pyrazole, 4-(6-(2-chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-, monomethanesulfonate, 4-(6-(2-Chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1H-pyrazole methanesulfonate, 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazo, 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole methanesulfonate
| Molecular Formula | C21H33ClN2O5S |
|---|---|
| Molecular Weight | 460.18 g/mol |
| LogP | 4.8824 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 460.17987 |
| Heavy Atoms | 30 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 69982-18-9 |
|---|---|
| SMILES | CCC1=C(C(=NN1)CC)CCCCCCOC2=C(C=C(C=C2)OC)Cl.CS(=O)(=O)O |
| InChIKey | XLPNGUGQMKKKDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
HX99TLK8DF (CAS 69982-18-9), with molecular formula C21H33ClN2O5S and molecular weight 460.18 g/mol. IUPAC: 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole;methanesulfonic acid.
Chemical Property Profile of HX99TLK8DF
Property Insights of HX99TLK8DF
The XLogP value of 4.8824 indicates that HX99TLK8DF is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for HX99TLK8DF. Following Lipinski's Rule of Five, HX99TLK8DF has 2 hydrogen bond donor(s) and 6 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 HX99TLK8DF?
The CAS number of HX99TLK8DF is 69982-18-9.
What is the molecular formula of HX99TLK8DF?
The molecular formula of HX99TLK8DF is C21H33ClN2O5S.
What is the molecular weight of HX99TLK8DF?
The molecular weight of HX99TLK8DF is 460.18 g/mol.
Where can I buy HX99TLK8DF?
You can request a quote for HX99TLK8DF directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HX99TLK8DF?
Yes, KEHONG BIO provides custom synthesis services for HX99TLK8DF and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.