1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one
TL;DR: 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one (CAS 72369-63-2) is a chemical compound with molecular formula C14H20O6 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)prop-2-en-1-one
Also Known As: 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one, 1-(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)prop-2-en-1-one
| Molecular Formula | C14H20O6 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.12598 |
| Heavy Atoms | 20 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 72369-63-2 |
|---|---|
| SMILES | CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)C=C)C |
| InChIKey | BXZHCENYJASXSQ-UHFFFAOYSA-N |
Product Overview
1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one (CAS 72369-63-2), with molecular formula C14H20O6 and molecular weight 284.13 g/mol. IUPAC: 1-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)prop-2-en-1-one.
Chemical Property Profile of 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one
Property Insights of 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 6 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-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one?
The CAS number of 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one is 72369-63-2.
What is the molecular formula of 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one?
The molecular formula of 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one is C14H20O6.
What is the molecular weight of 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one?
The molecular weight of 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one is 284.13 g/mol.
Where can I buy 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one?
You can request a quote for 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.