1,4-Benzenediol, 2-methoxy-, 4-acetate
TL;DR: 1,4-Benzenediol, 2-methoxy-, 4-acetate (CAS 57244-88-9) 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.
(4-hydroxy-3-methoxyphenyl) acetate
Also Known As: 4-hydroxy-3-methoxyphenyl acetate, 4-ACETOXYGUAIACOL, 2-Methoxy-4-acetoxyphenol, 4-Acetoxy-2-methoxyphenol, 4-hydroxy-3-methoxyphenylacetate
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 57244-88-9 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)O)OC |
| InChIKey | KDDIEEVLFYLMLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediol, 2-methoxy-, 4-acetate (CAS 57244-88-9), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: (4-hydroxy-3-methoxyphenyl) acetate.
Chemical Property Profile of 1,4-Benzenediol, 2-methoxy-, 4-acetate
Property Insights of 1,4-Benzenediol, 2-methoxy-, 4-acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 2-methoxy-, 4-acetate. With a topological polar surface area (TPSA) of 55.8 Ų, 1,4-Benzenediol, 2-methoxy-, 4-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2-methoxy-, 4-acetate has 1 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 1,4-Benzenediol, 2-methoxy-, 4-acetate?
The CAS number of 1,4-Benzenediol, 2-methoxy-, 4-acetate is 57244-88-9.
What is the molecular formula of 1,4-Benzenediol, 2-methoxy-, 4-acetate?
The molecular formula of 1,4-Benzenediol, 2-methoxy-, 4-acetate is C9H10O4.
What is the molecular weight of 1,4-Benzenediol, 2-methoxy-, 4-acetate?
The molecular weight of 1,4-Benzenediol, 2-methoxy-, 4-acetate is 182.06 g/mol.
Where can I buy 1,4-Benzenediol, 2-methoxy-, 4-acetate?
You can request a quote for 1,4-Benzenediol, 2-methoxy-, 4-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 2-methoxy-, 4-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 2-methoxy-, 4-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.