2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-
TL;DR: 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)- (CAS 21402-79-9) is a chemical compound with molecular formula C17H18O6 and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione
Also Known As: Decarbousnic, Decarbousnic acid, Decarbousnetic acid, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione, 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-
| Molecular Formula | C17H18O6 |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.11035 |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 21402-79-9 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=C(C(=C2C(=O)C)O)C)O)CC(=O)CC(=O)C |
| InChIKey | BLYIQXWINBIBSV-UHFFFAOYSA-N |
Product Overview
2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)- (CAS 21402-79-9), with molecular formula C17H18O6 and molecular weight 318.11 g/mol. IUPAC: 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione.
Chemical Property Profile of 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-
Property Insights of 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-. Following Lipinski's Rule of Five, 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)- has 2 hydrogen bond donor(s) and 6 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 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-?
The CAS number of 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)- is 21402-79-9.
What is the molecular formula of 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-?
The molecular formula of 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)- is C17H18O6.
What is the molecular weight of 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-?
The molecular weight of 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)- is 318.11 g/mol.
Where can I buy 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-?
You can request a quote for 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.