2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-
TL;DR: 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl- (CAS 67170-48-3) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(prop-2-enyl)-1,5-benzodioxepine-2,4-dione
Also Known As: 3,3-Di-2-propenyl-2H-1,5-benzodioxepine-2,4(3H)-dione, 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-, 5-19-05-00201 (Beilstein Handbook Reference), 3,3-bis(prop-2-enyl)-1,5-benzodioxepine-2,4-dione, 3,3-Di(prop-2-en-1-yl)-2H-1,5-benzodioxepine-2,4(3H)-dione
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.6496 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 495.83148 |
Chemical Identifiers
| CAS Number | 67170-48-3 |
|---|---|
| SMILES | C=CCC1(C(=O)OC2=CC=CC=C2OC1=O)CC=C |
Product Overview
2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl- (CAS 67170-48-3), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 3,3-bis(prop-2-enyl)-1,5-benzodioxepine-2,4-dione.
Chemical Property Profile of 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-
Property Insights of 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-
The XLogP value of 2.6496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-. With a topological polar surface area (TPSA) of 52.6 Ų, 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl- 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 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-?
The CAS number of 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl- is 67170-48-3.
What is the molecular formula of 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-?
The molecular formula of 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl- is C15H14O4.
What is the molecular weight of 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-?
The molecular weight of 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl- is 258.09 g/mol.
Where can I buy 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-?
You can request a quote for 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,5-Benzodioxepine-2,4(3H)-dione, 3,3-di-2-propenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.