Disodium cyanurate
TL;DR: Disodium cyanurate (CAS 44865-14-7) is a chemical compound with molecular formula C15H18ClN3O2 and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
Also Known As: Disodium cyanurate, n-2-pyrrolidin-1-yl-acetamidehydrochloride, N-(3-Phenyl-5-isoxazolyl)-1-pyrrolidineacetamide monohydrochloride, disodium,6-oxo-1H-1,3,5-triazine-2,4-diolate, 1-Pyrrolidineacetamide, N-(3-phenyl-5-isoxazolyl)-, monohydrochloride
| Molecular Formula | C15H18ClN3O2 |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 2.7977 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.10876 |
| Heavy Atoms | 21 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 44865-14-7 |
|---|---|
| SMILES | C1CCN(C1)CC(=O)NC2=CC(=NO2)C3=CC=CC=C3.Cl |
| InChIKey | JSOPWPBPADOVGK-UHFFFAOYSA-N |
Product Overview
Disodium cyanurate (CAS 44865-14-7), with molecular formula C15H18ClN3O2 and molecular weight 307.11 g/mol. IUPAC: N-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
Chemical Property Profile of Disodium cyanurate
Property Insights of Disodium cyanurate
The XLogP value of 2.7977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Disodium cyanurate. With a topological polar surface area (TPSA) of 58.4 Ų, Disodium cyanurate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Disodium cyanurate has 2 hydrogen bond donor(s) and 4 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 Disodium cyanurate?
The CAS number of Disodium cyanurate is 44865-14-7.
What is the molecular formula of Disodium cyanurate?
The molecular formula of Disodium cyanurate is C15H18ClN3O2.
What is the molecular weight of Disodium cyanurate?
The molecular weight of Disodium cyanurate is 307.11 g/mol.
Where can I buy Disodium cyanurate?
You can request a quote for Disodium cyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium cyanurate?
Yes, KEHONG BIO provides custom synthesis services for Disodium cyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.