阿昔呋喃
TL;DR: 阿昔呋喃 (CAS 72420-38-3) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿昔呋喃
5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
Also Known As: ACIFRAN, Reductol, Acifranum, Acifran, (+)-, Acifran, (-)-
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 72420-38-3 |
|---|---|
| SMILES | CC1(C(=O)C=C(O1)C(=O)O)C2=CC=CC=C2 |
| InChIKey | DFDGRKNOFOJBAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿昔呋喃 (CAS 72420-38-3), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid.
Chemical Property Profile of 阿昔呋喃
Property Insights of 阿昔呋喃
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿昔呋喃. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿昔呋喃. Following Lipinski's Rule of Five, 阿昔呋喃 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 阿昔呋喃?
The CAS number of 阿昔呋喃 is 72420-38-3.
What is the molecular formula of 阿昔呋喃?
The molecular formula of 阿昔呋喃 is C12H10O4.
What is the molecular weight of 阿昔呋喃?
The molecular weight of 阿昔呋喃 is 218.06 g/mol.
Where can I buy 阿昔呋喃?
You can request a quote for 阿昔呋喃 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿昔呋喃?
Yes, KEHONG BIO provides custom synthesis services for 阿昔呋喃 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.