四氢-4-亚甲基-5-氧代-3-呋喃甲酸
TL;DR: 四氢-4-亚甲基-5-氧代-3-呋喃甲酸 (CAS 94942-91-3) is a chemical compound with molecular formula C6H6O4 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢-4-亚甲基-5-氧代-3-呋喃甲酸
4-methylidene-5-oxooxolane-3-carboxylic acid
Also Known As: 4-methylidene-5-oxooxolane-3-carboxylic acid, 3-Furoic acid, tetrahydro-4-methylene-5-oxo-, 3-Furoic acid,tetrahydro-4-methylene-5-oxo, 4-methylidene-5-oxotetrahydrofuran-3-carboxylic acid, Tetrahydro-4-methylene-5-oxo-3-furancarboxylic acid
| Molecular Formula | C6H6O4 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02661 |
| Heavy Atoms | 10 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 94942-91-3 |
|---|---|
| SMILES | C=C1C(COC1=O)C(=O)O |
| InChIKey | WRYOVLZFCPKDCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢-4-亚甲基-5-氧代-3-呋喃甲酸 (CAS 94942-91-3), with molecular formula C6H6O4 and molecular weight 142.03 g/mol. IUPAC: 4-methylidene-5-oxooxolane-3-carboxylic acid.
Chemical Property Profile of 四氢-4-亚甲基-5-氧代-3-呋喃甲酸
Property Insights of 四氢-4-亚甲基-5-氧代-3-呋喃甲酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢-4-亚甲基-5-氧代-3-呋喃甲酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 四氢-4-亚甲基-5-氧代-3-呋喃甲酸. Following Lipinski's Rule of Five, 四氢-4-亚甲基-5-氧代-3-呋喃甲酸 has 1 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 四氢-4-亚甲基-5-氧代-3-呋喃甲酸?
The CAS number of 四氢-4-亚甲基-5-氧代-3-呋喃甲酸 is 94942-91-3.
What is the molecular formula of 四氢-4-亚甲基-5-氧代-3-呋喃甲酸?
The molecular formula of 四氢-4-亚甲基-5-氧代-3-呋喃甲酸 is C6H6O4.
What is the molecular weight of 四氢-4-亚甲基-5-氧代-3-呋喃甲酸?
The molecular weight of 四氢-4-亚甲基-5-氧代-3-呋喃甲酸 is 142.03 g/mol.
Where can I buy 四氢-4-亚甲基-5-氧代-3-呋喃甲酸?
You can request a quote for 四氢-4-亚甲基-5-氧代-3-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 四氢-4-亚甲基-5-氧代-3-呋喃甲酸?
Yes, KEHONG BIO provides custom synthesis services for 四氢-4-亚甲基-5-氧代-3-呋喃甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.