2,4-Dimethylphenyl butyrate
TL;DR: 2,4-Dimethylphenyl butyrate (CAS 723755-49-5) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dimethylphenyl) butanoate
Also Known As: 2,4-dimethylphenyl butyrate, (2,4-dimethylphenyl) butanoate, 2,4-dimethylphenyl butanoate, butyric acid-(2,4-dimethyl-phenyl ester), AN-652/12781641
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.00894 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 329.09366 |
Chemical Identifiers
| CAS Number | 723755-49-5 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C=C1)C)C |
Product Overview
2,4-Dimethylphenyl butyrate (CAS 723755-49-5), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (2,4-dimethylphenyl) butanoate.
Chemical Property Profile of 2,4-Dimethylphenyl butyrate
Property Insights of 2,4-Dimethylphenyl butyrate
The XLogP value of 3.00894 indicates that 2,4-Dimethylphenyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4-Dimethylphenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylphenyl butyrate 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 butyrate?
The CAS number of 2,4-Dimethylphenyl butyrate is 723755-49-5.
What is the molecular formula of 2,4-Dimethylphenyl butyrate?
The molecular formula of 2,4-Dimethylphenyl butyrate is C12H16O2.
What is the molecular weight of 2,4-Dimethylphenyl butyrate?
The molecular weight of 2,4-Dimethylphenyl butyrate is 192.12 g/mol.
Where can I buy 2,4-Dimethylphenyl butyrate?
You can request a quote for 2,4-Dimethylphenyl butyrate 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 butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylphenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.