3-甲基-2-糠醛
TL;DR: 3-甲基-2-糠醛 (CAS 26895-04-5) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-糠醛
3-methylfuran-2-carbaldehyde
Also Known As: 3-methylfuran-2-carbaldehyde, 3-Methyl-2-furaldehyde, Methylfurfurol, 3-Methyl-2-formylfuran, 3-methyl-2-furfural
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 26895-04-5 |
|---|---|
| SMILES | CC1=C(OC=C1)C=O |
| InChIKey | DSMRYCOTKWYTRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-2-糠醛 (CAS 26895-04-5), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: 3-methylfuran-2-carbaldehyde.
Chemical Property Profile of 3-甲基-2-糠醛
Property Insights of 3-甲基-2-糠醛
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-2-糠醛. With a topological polar surface area (TPSA) of 30.2 Ų, 3-甲基-2-糠醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-糠醛 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-甲基-2-糠醛?
The CAS number of 3-甲基-2-糠醛 is 26895-04-5.
What is the molecular formula of 3-甲基-2-糠醛?
The molecular formula of 3-甲基-2-糠醛 is C6H6O2.
What is the molecular weight of 3-甲基-2-糠醛?
The molecular weight of 3-甲基-2-糠醛 is 110.04 g/mol.
Where can I buy 3-甲基-2-糠醛?
You can request a quote for 3-甲基-2-糠醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-糠醛?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-糠醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.