Chlorothen citrate
TL;DR: Chlorothen citrate (CAS 148-64-1) is a chemical compound with molecular formula C20H26ClN3O7S and molecular weight 487.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Chlorothen citrate, Tagathen, Chloropyrilene Citrate, Chlorothen citrate [NF], CHLOROTHENIUM CITRATE
| Molecular Formula | C20H26ClN3O7S |
|---|---|
| Molecular Weight | 487.12 g/mol |
| LogP | 2.12 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 487.118 |
| Heavy Atoms | 32 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 148-64-1 |
|---|---|
| SMILES | CN(C)CCN(CC1=CC=C(S1)Cl)C2=CC=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | LLQVTRFPENCFFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorothen citrate (CAS 148-64-1), with molecular formula C20H26ClN3O7S and molecular weight 487.12 g/mol. IUPAC: N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Chlorothen citrate
Property Insights of Chlorothen citrate
The XLogP value of 2.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorothen citrate. The TPSA of 180.0 Ų indicates high polarity, suggesting Chlorothen citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorothen 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 Chlorothen citrate?
The CAS number of Chlorothen citrate is 148-64-1.
What is the molecular formula of Chlorothen citrate?
The molecular formula of Chlorothen citrate is C20H26ClN3O7S.
What is the molecular weight of Chlorothen citrate?
The molecular weight of Chlorothen citrate is 487.12 g/mol.
Where can I buy Chlorothen citrate?
You can request a quote for Chlorothen citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorothen citrate?
Yes, KEHONG BIO provides custom synthesis services for Chlorothen citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.