4-甲氧基苯乙酸
TL;DR: 4-甲氧基苯乙酸 (CAS 104-01-8) 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.
4-甲氧基苯乙酸
2-(4-methoxyphenyl)acetic acid
Also Known As: 4-Methoxyphenylacetic acid, Homoanisic acid, 2-(4-methoxyphenyl)acetic acid, p-Methoxyphenylacetic acid, (4-Methoxyphenyl)acetic acid
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| Melting Point | 87 °C |
| Boiling Point | 138.00 to 140.00 °C. @ 3.00 mm Hg |
| Solubility | 18 mg/mL |
Chemical Identifiers
| CAS Number | 104-01-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(=O)O |
| InChIKey | NRPFNQUDKRYCNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基苯乙酸 (CAS 104-01-8), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2-(4-methoxyphenyl)acetic acid.
Chemical Property Profile of 4-甲氧基苯乙酸
Property Insights of 4-甲氧基苯乙酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基苯乙酸. With a topological polar surface area (TPSA) of 46.5 Ų, 4-甲氧基苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲氧基苯乙酸 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 4-甲氧基苯乙酸?
The CAS number of 4-甲氧基苯乙酸 is 104-01-8.
What is the molecular formula of 4-甲氧基苯乙酸?
The molecular formula of 4-甲氧基苯乙酸 is C9H10O3.
What is the molecular weight of 4-甲氧基苯乙酸?
The molecular weight of 4-甲氧基苯乙酸 is 166.06 g/mol.
Where can I buy 4-甲氧基苯乙酸?
You can request a quote for 4-甲氧基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.