4-Methoxybenzyl formate
TL;DR: 4-Methoxybenzyl formate (CAS 122-91-8) 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-methoxyphenyl)methyl formate
Also Known As: Anisyl formate, 4-Methoxybenzyl formate, Anisyl methanoate, p-Methoxybenzyl formate, (4-methoxyphenyl)methyl formate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
| Boiling Point | 220.00 °C. @ 760.00 mm Hg |
| Density | 1.136-1.145 |
| Solubility | insoluble in water, glycerol, propylene glycol; soluble in organic solvents, oils |
| Refractive Index | 1.519-1.525 |
Chemical Identifiers
| CAS Number | 122-91-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)COC=O |
| InChIKey | XPDORSROGAZEGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxybenzyl formate (CAS 122-91-8), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: (4-methoxyphenyl)methyl formate.
Chemical Property Profile of 4-Methoxybenzyl formate
Property Insights of 4-Methoxybenzyl formate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzyl formate. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Methoxybenzyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxybenzyl formate 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 4-Methoxybenzyl formate?
The CAS number of 4-Methoxybenzyl formate is 122-91-8.
What is the molecular formula of 4-Methoxybenzyl formate?
The molecular formula of 4-Methoxybenzyl formate is C9H10O3.
What is the molecular weight of 4-Methoxybenzyl formate?
The molecular weight of 4-Methoxybenzyl formate is 166.06 g/mol.
Where can I buy 4-Methoxybenzyl formate?
You can request a quote for 4-Methoxybenzyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzyl formate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.