5-tert-butylfuran-2-carboxylic Acid
TL;DR: 5-tert-butylfuran-2-carboxylic Acid (CAS 56311-39-8) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylfuran-2-carboxylic acid
Also Known As: 5-tert-butylfuran-2-carboxylic Acid, 5-TERT-BUTYL-2-FUROIC ACID, 5-(tert-butyl)furan-2-carboxylic acid, 5-t-butyl-2-furoic acid, 2-tertbutyl 5-furanoic acid
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 2.2753 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 290.96744 |
Chemical Identifiers
| CAS Number | 56311-39-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(O1)C(=O)O |
Product Overview
5-tert-butylfuran-2-carboxylic Acid (CAS 56311-39-8), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 5-tert-butylfuran-2-carboxylic acid.
Chemical Property Profile of 5-tert-butylfuran-2-carboxylic Acid
Property Insights of 5-tert-butylfuran-2-carboxylic Acid
The XLogP value of 2.2753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-butylfuran-2-carboxylic Acid. With a topological polar surface area (TPSA) of 50.44 Ų, 5-tert-butylfuran-2-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-butylfuran-2-carboxylic Acid has 1 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 5-tert-butylfuran-2-carboxylic Acid?
The CAS number of 5-tert-butylfuran-2-carboxylic Acid is 56311-39-8.
What is the molecular formula of 5-tert-butylfuran-2-carboxylic Acid?
The molecular formula of 5-tert-butylfuran-2-carboxylic Acid is C9H12O3.
What is the molecular weight of 5-tert-butylfuran-2-carboxylic Acid?
The molecular weight of 5-tert-butylfuran-2-carboxylic Acid is 168.08 g/mol.
Where can I buy 5-tert-butylfuran-2-carboxylic Acid?
You can request a quote for 5-tert-butylfuran-2-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-butylfuran-2-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-butylfuran-2-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.