Irfi 005
TL;DR: Irfi 005 (CAS 139232-40-9) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid
Also Known As: 5-Htdbaa, Irfi 005, 5-Hydroxy-4,6,7-trimethyl-2,3-dihydrobenzofuran-2-acetic acid, 2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid, 2-(2,3-Dihydro-5-hydroxy-4,6,7-trimethylbenzofuranyl)acetic acid
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 139232-40-9 |
|---|---|
| SMILES | CC1=C(C2=C(CC(O2)CC(=O)O)C(=C1O)C)C |
| InChIKey | FUWYMDOAFXKROW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Irfi 005 (CAS 139232-40-9), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid.
Chemical Property Profile of Irfi 005
Property Insights of Irfi 005
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Irfi 005. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Irfi 005. Following Lipinski's Rule of Five, Irfi 005 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 Irfi 005?
The CAS number of Irfi 005 is 139232-40-9.
What is the molecular formula of Irfi 005?
The molecular formula of Irfi 005 is C13H16O4.
What is the molecular weight of Irfi 005?
The molecular weight of Irfi 005 is 236.10 g/mol.
Where can I buy Irfi 005?
You can request a quote for Irfi 005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irfi 005?
Yes, KEHONG BIO provides custom synthesis services for Irfi 005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.