3-Formyl-2,4,6-trimethylbenzyl acetate
TL;DR: 3-Formyl-2,4,6-trimethylbenzyl acetate (CAS 137380-48-4) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formyl-2,4,6-trimethylphenyl)methyl acetate
Also Known As: 3-FORMYL-2,4,6-TRIMETHYLBENZYL ACETATE, acetoxymethylformylmesitylene, (3-formyl-2,4,6-trimethylphenyl)methyl acetate, CHEMBRDG-BB7728820, CHEMBRDG-BB 7728820
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 137380-48-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1COC(=O)C)C)C=O)C |
| InChIKey | AVAXHSXXDPQPIR-UHFFFAOYSA-N |
Product Overview
3-Formyl-2,4,6-trimethylbenzyl acetate (CAS 137380-48-4), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: (3-formyl-2,4,6-trimethylphenyl)methyl acetate.
Chemical Property Profile of 3-Formyl-2,4,6-trimethylbenzyl acetate
Property Insights of 3-Formyl-2,4,6-trimethylbenzyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formyl-2,4,6-trimethylbenzyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Formyl-2,4,6-trimethylbenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Formyl-2,4,6-trimethylbenzyl acetate 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 3-Formyl-2,4,6-trimethylbenzyl acetate?
The CAS number of 3-Formyl-2,4,6-trimethylbenzyl acetate is 137380-48-4.
What is the molecular formula of 3-Formyl-2,4,6-trimethylbenzyl acetate?
The molecular formula of 3-Formyl-2,4,6-trimethylbenzyl acetate is C13H16O3.
What is the molecular weight of 3-Formyl-2,4,6-trimethylbenzyl acetate?
The molecular weight of 3-Formyl-2,4,6-trimethylbenzyl acetate is 220.11 g/mol.
Where can I buy 3-Formyl-2,4,6-trimethylbenzyl acetate?
You can request a quote for 3-Formyl-2,4,6-trimethylbenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Formyl-2,4,6-trimethylbenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Formyl-2,4,6-trimethylbenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.