3-Formyl-2,5-dimethylbenzyl acetate
TL;DR: 3-Formyl-2,5-dimethylbenzyl acetate (CAS 332409-46-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formyl-2,5-dimethylphenyl)methyl acetate
Also Known As: 3-formyl-2,5-dimethylbenzyl acetate, (3-formyl-2,5-dimethylphenyl)methyl acetate, BAS 00453677, BIM-0018976.P001, AB00082837-01
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 332409-46-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C=O)C)COC(=O)C |
| InChIKey | LCCIIMBWGVNVGG-UHFFFAOYSA-N |
Product Overview
3-Formyl-2,5-dimethylbenzyl acetate (CAS 332409-46-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: (3-formyl-2,5-dimethylphenyl)methyl acetate.
Chemical Property Profile of 3-Formyl-2,5-dimethylbenzyl acetate
Property Insights of 3-Formyl-2,5-dimethylbenzyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formyl-2,5-dimethylbenzyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Formyl-2,5-dimethylbenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Formyl-2,5-dimethylbenzyl 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-2,5-dimethylbenzyl acetate?
The CAS number of 3-Formyl-2,5-dimethylbenzyl acetate is 332409-46-8.
What is the molecular formula of 3-Formyl-2,5-dimethylbenzyl acetate?
The molecular formula of 3-Formyl-2,5-dimethylbenzyl acetate is C12H14O3.
What is the molecular weight of 3-Formyl-2,5-dimethylbenzyl acetate?
The molecular weight of 3-Formyl-2,5-dimethylbenzyl acetate is 206.09 g/mol.
Where can I buy 3-Formyl-2,5-dimethylbenzyl acetate?
You can request a quote for 3-Formyl-2,5-dimethylbenzyl 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-2,5-dimethylbenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Formyl-2,5-dimethylbenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.