Cetiedil Citrate
TL;DR: Cetiedil Citrate (CAS 16286-69-4) is a chemical compound with molecular formula C26H39NO9S and molecular weight 541.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)ethyl 2-cyclohexyl-2-thiophen-3-ylacetate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Cetiedil citrate, Celsis, Stratene, Vasocet, Celsis (TN)
| Molecular Formula | C26H39NO9S |
|---|---|
| Molecular Weight | 541.23 g/mol |
| LogP | 3.58 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 541.23456 |
| Heavy Atoms | 37 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 16286-69-4 |
|---|---|
| SMILES | C1CCCN(CC1)CCOC(=O)C(C2CCCCC2)C3=CSC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | XMGJGSKRRWXOIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetiedil Citrate (CAS 16286-69-4), with molecular formula C26H39NO9S and molecular weight 541.23 g/mol. IUPAC: 2-(azepan-1-yl)ethyl 2-cyclohexyl-2-thiophen-3-ylacetate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Cetiedil Citrate
Property Insights of Cetiedil Citrate
The XLogP value of 3.58 indicates that Cetiedil Citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting Cetiedil Citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cetiedil Citrate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cetiedil Citrate?
The CAS number of Cetiedil Citrate is 16286-69-4.
What is the molecular formula of Cetiedil Citrate?
The molecular formula of Cetiedil Citrate is C26H39NO9S.
What is the molecular weight of Cetiedil Citrate?
The molecular weight of Cetiedil Citrate is 541.23 g/mol.
Where can I buy Cetiedil Citrate?
You can request a quote for Cetiedil Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetiedil Citrate?
Yes, KEHONG BIO provides custom synthesis services for Cetiedil Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.