M-Methoxyphenyl acetate
TL;DR: M-Methoxyphenyl acetate (CAS 5451-91-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl) acetate
Also Known As: 3-Methoxyphenyl acetate, 1-Acetoxy-3-methoxybenzene, m-Anisyl acetate, m-Acetoxyanisole, (3-methoxyphenyl) acetate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 5451-91-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)OC |
| InChIKey | QQYNGKGFOZQMHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
M-Methoxyphenyl acetate (CAS 5451-91-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: (3-methoxyphenyl) acetate.
Chemical Property Profile of M-Methoxyphenyl acetate
Property Insights of M-Methoxyphenyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for M-Methoxyphenyl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, M-Methoxyphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, M-Methoxyphenyl acetate has 0 hydrogen bond donor(s) and 3 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 M-Methoxyphenyl acetate?
The CAS number of M-Methoxyphenyl acetate is 5451-91-2.
What is the molecular formula of M-Methoxyphenyl acetate?
The molecular formula of M-Methoxyphenyl acetate is C9H10O3.
What is the molecular weight of M-Methoxyphenyl acetate?
The molecular weight of M-Methoxyphenyl acetate is 166.06 g/mol.
Where can I buy M-Methoxyphenyl acetate?
You can request a quote for M-Methoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M-Methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for M-Methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.