3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione
TL;DR: 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione (CAS 68037-25-2) is a chemical compound with molecular formula C14H16O8 and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione
Also Known As: (C8-H8-O3.C4-H2-O3.C2-H6-O2)x-, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, polymer with 1,2-ethanediol and 2,5-furandione, brominated, 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione, 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; Ethane-1,2-diol; Furan-2,5-dione
| Molecular Formula | C14H16O8 |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | -0.7508 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.0845 |
| Heavy Atoms | 22 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 68037-25-2 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)OC2=O.C1=CC(=O)OC1=O.C(CO)O |
| InChIKey | ZTVRXLCNFWBYFL-UHFFFAOYSA-N |
Product Overview
3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione (CAS 68037-25-2), with molecular formula C14H16O8 and molecular weight 312.08 g/mol. IUPAC: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione.
Chemical Property Profile of 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione
Property Insights of 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione
The XLogP value of -0.7508 indicates that 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione. Following Lipinski's Rule of Five, 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione has 2 hydrogen bond donor(s) and 8 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 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione?
The CAS number of 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione is 68037-25-2.
What is the molecular formula of 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione?
The molecular formula of 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione is C14H16O8.
What is the molecular weight of 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione?
The molecular weight of 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione is 312.08 g/mol.
Where can I buy 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione?
You can request a quote for 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.