1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester (CAS 55044-59-2) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-methyl-5-propan-2-ylbenzene-1,2-dicarboxylate
Also Known As: Dimethyl 4-isopropyl-5-methylphthalate, Dimethyl 4-isopropyl-5-methylphthalate #, 4-Methyl-5-(1-methylethyl)-1,2-benzenedicarboxylic acid dimethyl ester, 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester, dimethyl 4-methyl-5-propan-2-ylbenzene-1,2-dicarboxylate
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 55044-59-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C)C)C(=O)OC)C(=O)OC |
| InChIKey | FZBIHUWXOTWRGI-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester (CAS 55044-59-2), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: dimethyl 4-methyl-5-propan-2-ylbenzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester
The XLogP value of 3.1 indicates that 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester has 0 hydrogen bond donor(s) and 4 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 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester is 55044-59-2.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester is C14H18O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester is 250.12 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.