IDI1_028441
TL;DR: IDI1_028441 (CAS 71620-30-9) is a chemical compound with molecular formula C16H12O5 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-5-carboxylate
Also Known As: IDI1_028441, methyl (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate, F1673-7098, (Z)-methyl 2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate, methyl (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-5-carboxylate
| Molecular Formula | C16H12O5 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.99082 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.06848 |
| Heavy Atoms | 21 |
| Complexity | 766.72455 |
Chemical Identifiers
| CAS Number | 71620-30-9 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C=CC(=C3)C(=O)OC |
Product Overview
IDI1_028441 (CAS 71620-30-9), with molecular formula C16H12O5 and molecular weight 284.07 g/mol. IUPAC: methyl (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-5-carboxylate.
Chemical Property Profile of IDI1_028441
Property Insights of IDI1_028441
The XLogP value of 2.99082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_028441. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_028441. Following Lipinski's Rule of Five, IDI1_028441 has 0 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 IDI1_028441?
The CAS number of IDI1_028441 is 71620-30-9.
What is the molecular formula of IDI1_028441?
The molecular formula of IDI1_028441 is C16H12O5.
What is the molecular weight of IDI1_028441?
The molecular weight of IDI1_028441 is 284.07 g/mol.
Where can I buy IDI1_028441?
You can request a quote for IDI1_028441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_028441?
Yes, KEHONG BIO provides custom synthesis services for IDI1_028441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.