1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone
TL;DR: 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone (CAS 3934-89-2) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxy-5-methoxyphenyl)ethanone
Also Known As: 5-hydroxyacetovanillone, 1-(3,4-Dihydroxy-5-methoxyphenyl)ethan-1-one, 1-(3,4-dihydroxy-5-methoxyphenyl)ethanone, 3,4-Dihydroxy-5-methoxyacetophenone, ACETOPHENONE, 3,4-DIHYDROXY-5-METHOXY-
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 3934-89-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1)OC)O)O |
| InChIKey | APWNPKIBUXZTOW-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone (CAS 3934-89-2), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 1-(3,4-dihydroxy-5-methoxyphenyl)ethanone.
Chemical Property Profile of 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone
Property Insights of 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone
The XLogP value of -0.1 indicates that 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone 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 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone?
The CAS number of 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone is 3934-89-2.
What is the molecular formula of 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone?
The molecular formula of 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone is C9H10O4.
What is the molecular weight of 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone?
The molecular weight of 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone is 182.06 g/mol.
Where can I buy 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone?
You can request a quote for 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.