1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester
TL;DR: 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester (CAS 55045-01-7) is a chemical compound with molecular formula C12H12O6 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-acetyloxybenzene-1,4-dicarboxylate
Also Known As: Dimethyl 2-(acetyloxy)terephthalate, 2-Acetoxyterephthalsaeure-dimethylester, Dimethyl 2-(acetyloxy)terephthalate #, 2- -1,4-benzenedicarboxylicaciddimethylester, dimethyl 2-acetyloxybenzene-1,4-dicarboxylate
| Molecular Formula | C12H12O6 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.06339 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 55045-01-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC(=C1)C(=O)OC)C(=O)OC |
| InChIKey | VZKCUZFNIPGFQK-UHFFFAOYSA-N |
Product Overview
1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester (CAS 55045-01-7), with molecular formula C12H12O6 and molecular weight 252.06 g/mol. IUPAC: dimethyl 2-acetyloxybenzene-1,4-dicarboxylate.
Chemical Property Profile of 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester
Property Insights of 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester has 0 hydrogen bond donor(s) and 6 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 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester?
The CAS number of 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester is 55045-01-7.
What is the molecular formula of 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester?
The molecular formula of 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester is C12H12O6.
What is the molecular weight of 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester?
The molecular weight of 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester is 252.06 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester?
You can request a quote for 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.