2,5-Diacetyl-terephthalic acid
TL;DR: 2,5-Diacetyl-terephthalic acid (CAS 67897-32-9) is a chemical compound with molecular formula C12H10O6 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diacetylterephthalic acid
Also Known As: 2,5-diacetylterephthalic acid, 2,5-Diacetyl-terephthalic acid, 2,5-diacetylbenzene-1,4-dicarboxylic acid, 1,4-Benzenedicarboxylic acid, 2,5-diacetyl-
| Molecular Formula | C12H10O6 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.04774 |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 67897-32-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)C)C(=O)O |
| InChIKey | BCCKNCHLCMNBOV-UHFFFAOYSA-N |
Product Overview
2,5-Diacetyl-terephthalic acid (CAS 67897-32-9), with molecular formula C12H10O6 and molecular weight 250.05 g/mol. IUPAC: 2,5-diacetylterephthalic acid.
Chemical Property Profile of 2,5-Diacetyl-terephthalic acid
Property Insights of 2,5-Diacetyl-terephthalic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diacetyl-terephthalic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Diacetyl-terephthalic acid. Following Lipinski's Rule of Five, 2,5-Diacetyl-terephthalic acid has 2 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 2,5-Diacetyl-terephthalic acid?
The CAS number of 2,5-Diacetyl-terephthalic acid is 67897-32-9.
What is the molecular formula of 2,5-Diacetyl-terephthalic acid?
The molecular formula of 2,5-Diacetyl-terephthalic acid is C12H10O6.
What is the molecular weight of 2,5-Diacetyl-terephthalic acid?
The molecular weight of 2,5-Diacetyl-terephthalic acid is 250.05 g/mol.
Where can I buy 2,5-Diacetyl-terephthalic acid?
You can request a quote for 2,5-Diacetyl-terephthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diacetyl-terephthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diacetyl-terephthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.