3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione
TL;DR: 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione (CAS 37645-86-6) is a chemical compound with molecular formula C17H18O5 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione
Also Known As: 7-acetyl-2-3,5-dimethylbenzofuran-6-ol, 7-Acetyl-2- -3,5-dimethylbenzofuran-6-ol, 3-(7-acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione, 7-Acetyl-2-(diacetylmethyl)-6-hydroxy-3,5-dimethylbenzofuran, 2,4-Pentanedione, 3-(7-acetyl-6-hydroxy-3,5-dimethyl-2-benzofuranyl)-
| Molecular Formula | C17H18O5 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.11542 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 37645-86-6 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1O)C(=O)C)OC(=C2C)C(C(=O)C)C(=O)C |
| InChIKey | OGCGCJGZJHXRGF-UHFFFAOYSA-N |
Product Overview
3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione (CAS 37645-86-6), with molecular formula C17H18O5 and molecular weight 302.12 g/mol. IUPAC: 3-(7-acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione.
Chemical Property Profile of 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione
Property Insights of 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione. Following Lipinski's Rule of Five, 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione has 1 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 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione?
The CAS number of 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione is 37645-86-6.
What is the molecular formula of 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione?
The molecular formula of 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione is C17H18O5.
What is the molecular weight of 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione?
The molecular weight of 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione is 302.12 g/mol.
Where can I buy 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione?
You can request a quote for 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(7-Acetyl-6-hydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.