Methyl 4-(hydroxymethyl)benzoate
TL;DR: Methyl 4-(hydroxymethyl)benzoate (CAS 6908-41-4) 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.
methyl 4-(hydroxymethyl)benzoate
Also Known As: Methyl 4-(hydroxymethyl)benzoate, 4-Carbomethoxybenzyl alcohol, Methyl (4-hydroxymethyl)benzoate, METHYL BENZOATE, Benzoic acid, 4-(hydroxymethyl)-, methyl ester
| 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 |
Chemical Identifiers
| CAS Number | 6908-41-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CO |
| InChIKey | VBWFYEFYHJRJER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(hydroxymethyl)benzoate (CAS 6908-41-4), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl 4-(hydroxymethyl)benzoate.
Chemical Property Profile of Methyl 4-(hydroxymethyl)benzoate
Property Insights of Methyl 4-(hydroxymethyl)benzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(hydroxymethyl)benzoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 4-(hydroxymethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(hydroxymethyl)benzoate 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 Methyl 4-(hydroxymethyl)benzoate?
The CAS number of Methyl 4-(hydroxymethyl)benzoate is 6908-41-4.
What is the molecular formula of Methyl 4-(hydroxymethyl)benzoate?
The molecular formula of Methyl 4-(hydroxymethyl)benzoate is C9H10O3.
What is the molecular weight of Methyl 4-(hydroxymethyl)benzoate?
The molecular weight of Methyl 4-(hydroxymethyl)benzoate is 166.06 g/mol.
Where can I buy Methyl 4-(hydroxymethyl)benzoate?
You can request a quote for Methyl 4-(hydroxymethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(hydroxymethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(hydroxymethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.