Cresopirine
TL;DR: Cresopirine (CAS 4386-39-4) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-3-methylbenzoic acid
Also Known As: Cresopirine, 2-(Acetyloxy)-3-methylbenzoic acid, 2-Acetoxy-3-methylbenzoic acid, CRESOPYRINE, null
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 4386-39-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)O)OC(=O)C |
| InChIKey | XRBMKGUDDJPAMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cresopirine (CAS 4386-39-4), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-acetyloxy-3-methylbenzoic acid.
Chemical Property Profile of Cresopirine
Property Insights of Cresopirine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cresopirine. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cresopirine. Following Lipinski's Rule of Five, Cresopirine has 1 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 Cresopirine?
The CAS number of Cresopirine is 4386-39-4.
What is the molecular formula of Cresopirine?
The molecular formula of Cresopirine is C10H10O4.
What is the molecular weight of Cresopirine?
The molecular weight of Cresopirine is 194.06 g/mol.
Where can I buy Cresopirine?
You can request a quote for Cresopirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cresopirine?
Yes, KEHONG BIO provides custom synthesis services for Cresopirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.