2-(Butoxycarbonyl)terephthalic acid
TL;DR: 2-(Butoxycarbonyl)terephthalic acid (CAS 91910-96-2) is a chemical compound with molecular formula C13H14O6 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxycarbonylterephthalic acid
Also Known As: 2-(butoxycarbonyl)terephthalic acid, 2-butoxycarbonylterephthalic acid, 2-(butoxycarbonyl)benzene-1,4-dicarboxylic acid, AE-562/12222016
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 2.0399 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 505.85495 |
Chemical Identifiers
| CAS Number | 91910-96-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O |
Product Overview
2-(Butoxycarbonyl)terephthalic acid (CAS 91910-96-2), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: 2-butoxycarbonylterephthalic acid.
Chemical Property Profile of 2-(Butoxycarbonyl)terephthalic acid
Property Insights of 2-(Butoxycarbonyl)terephthalic acid
The XLogP value of 2.0399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butoxycarbonyl)terephthalic acid. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butoxycarbonyl)terephthalic acid. Following Lipinski's Rule of Five, 2-(Butoxycarbonyl)terephthalic acid has 2 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 2-(Butoxycarbonyl)terephthalic acid?
The CAS number of 2-(Butoxycarbonyl)terephthalic acid is 91910-96-2.
What is the molecular formula of 2-(Butoxycarbonyl)terephthalic acid?
The molecular formula of 2-(Butoxycarbonyl)terephthalic acid is C13H14O6.
What is the molecular weight of 2-(Butoxycarbonyl)terephthalic acid?
The molecular weight of 2-(Butoxycarbonyl)terephthalic acid is 266.08 g/mol.
Where can I buy 2-(Butoxycarbonyl)terephthalic acid?
You can request a quote for 2-(Butoxycarbonyl)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-(Butoxycarbonyl)terephthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butoxycarbonyl)terephthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.