5-Formyl-2-methoxybenzyl acetate
TL;DR: 5-Formyl-2-methoxybenzyl acetate (CAS 99865-67-5) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-formyl-2-methoxyphenyl)methyl acetate
Also Known As: 5-Formyl-2-methoxybenzyl acetate, (5-formyl-2-methoxyphenyl)methyl acetate, 3-acetoxymethyl-2-furaldehyde, 5-Formyl-2-methoxybenzylacetate, 5-Formyl-2-methoxybenzyl acetate #
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 99865-67-5 |
|---|---|
| SMILES | CC(=O)OCC1=C(C=CC(=C1)C=O)OC |
| InChIKey | NEABBBBNPSHHGH-UHFFFAOYSA-N |
Product Overview
5-Formyl-2-methoxybenzyl acetate (CAS 99865-67-5), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: (5-formyl-2-methoxyphenyl)methyl acetate.
Chemical Property Profile of 5-Formyl-2-methoxybenzyl acetate
Property Insights of 5-Formyl-2-methoxybenzyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formyl-2-methoxybenzyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Formyl-2-methoxybenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Formyl-2-methoxybenzyl acetate has 0 hydrogen bond donor(s) and 4 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 5-Formyl-2-methoxybenzyl acetate?
The CAS number of 5-Formyl-2-methoxybenzyl acetate is 99865-67-5.
What is the molecular formula of 5-Formyl-2-methoxybenzyl acetate?
The molecular formula of 5-Formyl-2-methoxybenzyl acetate is C11H12O4.
What is the molecular weight of 5-Formyl-2-methoxybenzyl acetate?
The molecular weight of 5-Formyl-2-methoxybenzyl acetate is 208.07 g/mol.
Where can I buy 5-Formyl-2-methoxybenzyl acetate?
You can request a quote for 5-Formyl-2-methoxybenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Formyl-2-methoxybenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Formyl-2-methoxybenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.