2,4-Dimethylphenyl acetate
TL;DR: 2,4-Dimethylphenyl acetate (CAS 877-53-2) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dimethylphenyl) acetate
Also Known As: 2,4-Dimethylphenyl acetate, Phenol, 2,4-dimethyl-, acetate, (2,4-dimethylphenyl) acetate, (2,4-dimethyl)phenyl acetate, 2,4-Dimethylphenyl acetate #
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 877-53-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C)C |
| InChIKey | BNXJYMYPBQBNSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylphenyl acetate (CAS 877-53-2), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: (2,4-dimethylphenyl) acetate.
Chemical Property Profile of 2,4-Dimethylphenyl acetate
Property Insights of 2,4-Dimethylphenyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylphenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4-Dimethylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylphenyl acetate has 0 hydrogen bond donor(s) and 2 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 2,4-Dimethylphenyl acetate?
The CAS number of 2,4-Dimethylphenyl acetate is 877-53-2.
What is the molecular formula of 2,4-Dimethylphenyl acetate?
The molecular formula of 2,4-Dimethylphenyl acetate is C10H12O2.
What is the molecular weight of 2,4-Dimethylphenyl acetate?
The molecular weight of 2,4-Dimethylphenyl acetate is 164.08 g/mol.
Where can I buy 2,4-Dimethylphenyl acetate?
You can request a quote for 2,4-Dimethylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.