2-甲氧基苯甲酸
TL;DR: 2-甲氧基苯甲酸 (CAS 579-75-9) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲氧基苯甲酸
2-methoxybenzoic acid
Also Known As: o-Anisic acid, 2-METHOXYBENZOIC ACID, O-Methylsalicylic acid, o-Methoxybenzoic acid, 2-Anisic acid
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| Melting Point | 106 °C |
| Boiling Point | 279.00 to 280.00 °C. @ 760.00 mm Hg |
| Solubility | 5 mg/mL at 30 °C |
Chemical Identifiers
| CAS Number | 579-75-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)O |
| InChIKey | ILUJQPXNXACGAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲氧基苯甲酸 (CAS 579-75-9), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 2-methoxybenzoic acid.
Chemical Property Profile of 2-甲氧基苯甲酸
Property Insights of 2-甲氧基苯甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲氧基苯甲酸. With a topological polar surface area (TPSA) of 46.5 Ų, 2-甲氧基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲氧基苯甲酸 has 1 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 2-甲氧基苯甲酸?
The CAS number of 2-甲氧基苯甲酸 is 579-75-9.
What is the molecular formula of 2-甲氧基苯甲酸?
The molecular formula of 2-甲氧基苯甲酸 is C8H8O3.
What is the molecular weight of 2-甲氧基苯甲酸?
The molecular weight of 2-甲氧基苯甲酸 is 152.05 g/mol.
Where can I buy 2-甲氧基苯甲酸?
You can request a quote for 2-甲氧基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.