Naftidrofuryl citrate
TL;DR: Naftidrofuryl citrate (CAS 105386-86-5) is a chemical compound with molecular formula C30H41NO10 and molecular weight 575.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Naftidrofuryl citrate, Nafronyl citrate, 2-Furanpropanoic acid, tetrahydro-alpha-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester,2-hydroxy-1,2,3-propanetricarboxylate (1:1), Diethyl(2-(3-(2-furyl)-2-(2-naphthylmethyl)propionyloxy)ethyl)ammonium dihydrogen citrate, diethyl[2-[3-2- propionyloxy]ethyl]ammoniumdihydrogencitrate
| Molecular Formula | C30H41NO10 |
|---|---|
| Molecular Weight | 575.27 g/mol |
| LogP | 3.2041 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 575.2731 |
| Heavy Atoms | 41 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 105386-86-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | LKLQMEYKQKAQCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naftidrofuryl citrate (CAS 105386-86-5), with molecular formula C30H41NO10 and molecular weight 575.27 g/mol. IUPAC: 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Naftidrofuryl citrate
Property Insights of Naftidrofuryl citrate
The XLogP value of 3.2041 indicates that Naftidrofuryl citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting Naftidrofuryl citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naftidrofuryl 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 Naftidrofuryl citrate?
The CAS number of Naftidrofuryl citrate is 105386-86-5.
What is the molecular formula of Naftidrofuryl citrate?
The molecular formula of Naftidrofuryl citrate is C30H41NO10.
What is the molecular weight of Naftidrofuryl citrate?
The molecular weight of Naftidrofuryl citrate is 575.27 g/mol.
Where can I buy Naftidrofuryl citrate?
You can request a quote for Naftidrofuryl citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naftidrofuryl citrate?
Yes, KEHONG BIO provides custom synthesis services for Naftidrofuryl citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.