4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl-
TL;DR: 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl- (CAS 49812-94-4) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-yl)propan-1-one
Also Known As: 4,7-BENZOFURANDIOL, 2,3-DIMETHYL-6-PROPIONYL-, 4,7-Dihydroxy-2,3-dimethyl-6-propionylbenzofuran, 2,3-Dimethyl-6-propionyl-4,7-benzofurandiol, Benzofuran, 4,7-dihydroxy-2,3-dimethyl-6-propionyl-, 1-(4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-yl)propan-1-one
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 49812-94-4 |
|---|---|
| SMILES | CCC(=O)C1=CC(=C2C(=C(OC2=C1O)C)C)O |
| InChIKey | RAPPODMWSJOVMS-UHFFFAOYSA-N |
Product Overview
4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl- (CAS 49812-94-4), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: 1-(4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-yl)propan-1-one.
Chemical Property Profile of 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl-
Property Insights of 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl-
The XLogP value of 3.1 indicates that 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl-. Following Lipinski's Rule of Five, 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl- 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 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl-?
The CAS number of 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl- is 49812-94-4.
What is the molecular formula of 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl-?
The molecular formula of 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl- is C13H14O4.
What is the molecular weight of 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl-?
The molecular weight of 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl- is 234.09 g/mol.
Where can I buy 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl-?
You can request a quote for 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Benzofurandiol, 2,3-dimethyl-6-propionyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.