1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid
TL;DR: 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid (CAS 4721-07-7) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid
Also Known As: KST-1A9358, 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid, 1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid
| Molecular Formula | C9H8O5 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.03717 |
| Heavy Atoms | 14 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 4721-07-7 |
|---|---|
| SMILES | C1C=CC(C2C1C(=O)OC2=O)C(=O)O |
| InChIKey | ISYKSLPFCNDXPC-UHFFFAOYSA-N |
Product Overview
1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid (CAS 4721-07-7), with molecular formula C9H8O5 and molecular weight 196.04 g/mol. IUPAC: 1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid.
Chemical Property Profile of 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid
Property Insights of 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid. Following Lipinski's Rule of Five, 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid?
The CAS number of 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid is 4721-07-7.
What is the molecular formula of 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid?
The molecular formula of 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid is C9H8O5.
What is the molecular weight of 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid?
The molecular weight of 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid is 196.04 g/mol.
Where can I buy 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid?
You can request a quote for 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.