Calurin
TL;DR: Calurin (CAS 5469-29-4) is a chemical compound with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;urea
Also Known As: Calurin, Carbasalate, CARBASPIRIN, Calcium carbasalate, Carbasalate calcium
| Molecular Formula | C10H12N2O5 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 0.3339 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07462 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 5469-29-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O.C(=O)(N)N |
| InChIKey | NZZLTKHBCHMMOJ-UHFFFAOYSA-N |
Product Overview
Calurin (CAS 5469-29-4), with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol. IUPAC: 2-acetyloxybenzoic acid;urea.
Chemical Property Profile of Calurin
Property Insights of Calurin
The XLogP value of 0.3339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calurin. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calurin. Following Lipinski's Rule of Five, Calurin has 3 hydrogen bond donor(s) and 5 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 Calurin?
The CAS number of Calurin is 5469-29-4.
What is the molecular formula of Calurin?
The molecular formula of Calurin is C10H12N2O5.
What is the molecular weight of Calurin?
The molecular weight of Calurin is 240.07 g/mol.
Where can I buy Calurin?
You can request a quote for Calurin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calurin?
Yes, KEHONG BIO provides custom synthesis services for Calurin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.