Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester
TL;DR: Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester (CAS 55000-44-7) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethylphenyl)methyl 2,4-dimethylbenzoate
Also Known As: 2,4-Dimethylbenzoicacid methylester, 2,5-Dimethylbenzyl 2,4-dimethylbenzoate, 2,5-Dimethylbenzyl 2,4-dimethylbenzoate #, (2,5-dimethylphenyl)methyl 2,4-dimethylbenzoate, 2,4-Dimethylbenzoic acid (2,5-dimethylphenyl)methyl ester
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 55000-44-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)OCC2=C(C=CC(=C2)C)C)C |
| InChIKey | RARMAAOPLKXGLM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester (CAS 55000-44-7), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: (2,5-dimethylphenyl)methyl 2,4-dimethylbenzoate.
Chemical Property Profile of Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester
Property Insights of Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester
The XLogP value of 4.7 indicates that Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester 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 Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester?
The CAS number of Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester is 55000-44-7.
What is the molecular formula of Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester?
The molecular formula of Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester is C18H20O2.
What is the molecular weight of Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester?
The molecular weight of Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester is 268.15 g/mol.
Where can I buy Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester?
You can request a quote for Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.