4-(Methoxymethyl)benzoic acid
TL;DR: 4-(Methoxymethyl)benzoic acid (CAS 123843-65-2) 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.
4-(methoxymethyl)benzoic acid
Also Known As: 4-(methoxymethyl)benzoic acid, 4-Methoxymethyl-benzoic acid, 4-methoxymethylbenzoic acid, a-methoxy-p-toluic acid, Benzoic acid, 4-(methoxymethyl)-
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.5 |
| 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 |
Chemical Identifiers
| CAS Number | 123843-65-2 |
|---|---|
| SMILES | COCC1=CC=C(C=C1)C(=O)O |
| InChIKey | OORFINRYBCDBEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methoxymethyl)benzoic acid (CAS 123843-65-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 4-(methoxymethyl)benzoic acid.
Chemical Property Profile of 4-(Methoxymethyl)benzoic acid
Property Insights of 4-(Methoxymethyl)benzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methoxymethyl)benzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(Methoxymethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methoxymethyl)benzoic acid 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-(Methoxymethyl)benzoic acid?
The CAS number of 4-(Methoxymethyl)benzoic acid is 123843-65-2.
What is the molecular formula of 4-(Methoxymethyl)benzoic acid?
The molecular formula of 4-(Methoxymethyl)benzoic acid is C9H10O3.
What is the molecular weight of 4-(Methoxymethyl)benzoic acid?
The molecular weight of 4-(Methoxymethyl)benzoic acid is 166.06 g/mol.
Where can I buy 4-(Methoxymethyl)benzoic acid?
You can request a quote for 4-(Methoxymethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methoxymethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxymethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.