3,4-Dihydro-2,5-benzodioxocin-1,6-dione
TL;DR: 3,4-Dihydro-2,5-benzodioxocin-1,6-dione (CAS 4196-98-9) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2,5-benzodioxocine-1,6-dione
Also Known As: Ethylene phthalate, ethylenephthalate, Ethylene glycol phthalate, 3,4-dihydro-2,5-benzodioxocine-1,6-dione, 3,4-Dihydro-2,5-benzodioxocin-1,6-dione
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 4196-98-9 |
|---|---|
| SMILES | C1COC(=O)C2=CC=CC=C2C(=O)O1 |
| InChIKey | SENMPMXZMGNQAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-2,5-benzodioxocin-1,6-dione (CAS 4196-98-9), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: 3,4-dihydro-2,5-benzodioxocine-1,6-dione.
Chemical Property Profile of 3,4-Dihydro-2,5-benzodioxocin-1,6-dione
Property Insights of 3,4-Dihydro-2,5-benzodioxocin-1,6-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2,5-benzodioxocin-1,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 3,4-Dihydro-2,5-benzodioxocin-1,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2,5-benzodioxocin-1,6-dione has 0 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 3,4-Dihydro-2,5-benzodioxocin-1,6-dione?
The CAS number of 3,4-Dihydro-2,5-benzodioxocin-1,6-dione is 4196-98-9.
What is the molecular formula of 3,4-Dihydro-2,5-benzodioxocin-1,6-dione?
The molecular formula of 3,4-Dihydro-2,5-benzodioxocin-1,6-dione is C10H8O4.
What is the molecular weight of 3,4-Dihydro-2,5-benzodioxocin-1,6-dione?
The molecular weight of 3,4-Dihydro-2,5-benzodioxocin-1,6-dione is 192.04 g/mol.
Where can I buy 3,4-Dihydro-2,5-benzodioxocin-1,6-dione?
You can request a quote for 3,4-Dihydro-2,5-benzodioxocin-1,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-2,5-benzodioxocin-1,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2,5-benzodioxocin-1,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.