3-甲基-2-呋喃甲酸
TL;DR: 3-甲基-2-呋喃甲酸 (CAS 4412-96-8) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-呋喃甲酸
3-methylfuran-2-carboxylic acid
Also Known As: 3-Methyl-2-furoic acid, 3-Methylfuran-2-carboxylic acid, methylpyromucic acid, 3-methyl-2-furancarboxylic acid, 3-Methyl furoic acid
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 4412-96-8 |
|---|---|
| SMILES | CC1=C(OC=C1)C(=O)O |
| InChIKey | BNYIQEFWGSXIKQ-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-呋喃甲酸 (CAS 4412-96-8), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 3-methylfuran-2-carboxylic acid.
Chemical Property Profile of 3-甲基-2-呋喃甲酸
Property Insights of 3-甲基-2-呋喃甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-2-呋喃甲酸. With a topological polar surface area (TPSA) of 50.4 Ų, 3-甲基-2-呋喃甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-呋喃甲酸 has 1 hydrogen bond donor(s) and 3 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-呋喃甲酸?
The CAS number of 3-甲基-2-呋喃甲酸 is 4412-96-8.
What is the molecular formula of 3-甲基-2-呋喃甲酸?
The molecular formula of 3-甲基-2-呋喃甲酸 is C6H6O3.
What is the molecular weight of 3-甲基-2-呋喃甲酸?
The molecular weight of 3-甲基-2-呋喃甲酸 is 126.03 g/mol.
Where can I buy 3-甲基-2-呋喃甲酸?
You can request a quote for 3-甲基-2-呋喃甲酸 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-呋喃甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-呋喃甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.