3,4,5-Trimethylfuran-2-carbaldehyde
TL;DR: 3,4,5-Trimethylfuran-2-carbaldehyde (CAS 116557-17-6) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethylfuran-2-carbaldehyde
Also Known As: 3,4,5-trimethyl-2-furfural, 3,4,5-trimethylfuran-2-carbaldehyde
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 2.01736 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 258.46646 |
Chemical Identifiers
| CAS Number | 116557-17-6 |
|---|---|
| SMILES | CC1=C(OC(=C1C)C=O)C |
Product Overview
3,4,5-Trimethylfuran-2-carbaldehyde (CAS 116557-17-6), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 3,4,5-trimethylfuran-2-carbaldehyde.
Chemical Property Profile of 3,4,5-Trimethylfuran-2-carbaldehyde
Property Insights of 3,4,5-Trimethylfuran-2-carbaldehyde
The XLogP value of 2.01736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethylfuran-2-carbaldehyde. With a topological polar surface area (TPSA) of 30.21 Ų, 3,4,5-Trimethylfuran-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethylfuran-2-carbaldehyde has 0 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 3,4,5-Trimethylfuran-2-carbaldehyde?
The CAS number of 3,4,5-Trimethylfuran-2-carbaldehyde is 116557-17-6.
What is the molecular formula of 3,4,5-Trimethylfuran-2-carbaldehyde?
The molecular formula of 3,4,5-Trimethylfuran-2-carbaldehyde is C8H10O2.
What is the molecular weight of 3,4,5-Trimethylfuran-2-carbaldehyde?
The molecular weight of 3,4,5-Trimethylfuran-2-carbaldehyde is 138.07 g/mol.
Where can I buy 3,4,5-Trimethylfuran-2-carbaldehyde?
You can request a quote for 3,4,5-Trimethylfuran-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethylfuran-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethylfuran-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.