Perisoxal citrate
TL;DR: Perisoxal citrate (CAS 2139-25-5) is a chemical compound with molecular formula C22H28N2O9 and molecular weight 464.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol
Also Known As: Perisoxal citrate, Sid 744614, Tox21_113293, CAS-14838-45-0, 3-(1-Hydroxy-2-piperidinoethyl)-5-phenylisoxazole citrate
| Molecular Formula | C22H28N2O9 |
|---|---|
| Molecular Weight | 464.18 g/mol |
| LogP | 1.6124 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.17947 |
| Heavy Atoms | 33 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 2139-25-5 |
|---|---|
| SMILES | C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | LLIFHVXJAXBPMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Perisoxal citrate (CAS 2139-25-5), with molecular formula C22H28N2O9 and molecular weight 464.18 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol.
Chemical Property Profile of Perisoxal citrate
Property Insights of Perisoxal citrate
The XLogP value of 1.6124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perisoxal citrate. The TPSA of 182.0 Ų indicates high polarity, suggesting Perisoxal citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Perisoxal citrate has 5 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 Perisoxal citrate?
The CAS number of Perisoxal citrate is 2139-25-5.
What is the molecular formula of Perisoxal citrate?
The molecular formula of Perisoxal citrate is C22H28N2O9.
What is the molecular weight of Perisoxal citrate?
The molecular weight of Perisoxal citrate is 464.18 g/mol.
Where can I buy Perisoxal citrate?
You can request a quote for Perisoxal citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perisoxal citrate?
Yes, KEHONG BIO provides custom synthesis services for Perisoxal citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.