3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione
TL;DR: 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione (CAS 134952-25-3) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7,7-trimethyl-6,8-dihydrochromene-4,5-dione
Also Known As: 3,7,7-trimethyl-6,8-dihydrochromene-4,5-dione, 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 411.0 |
| SMILES | CC1=COC2=C(C1=O)C(=O)CC(C2)(C)C |
| InChIKey | WKZUCWKHKJHMGO-UHFFFAOYSA-N |
Chemical Property Profile of 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione
Property Insights of 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione?
The CAS number of 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione is 134952-25-3.
What is the molecular formula of 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione?
The molecular formula of 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione is C12H14O3.
What is the molecular weight of 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione?
The molecular weight of 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione is 206.0943 g/mol.
Where can I buy 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione?
You can request a quote for 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione?
Yes, CoreyChem provides custom synthesis services for 3,7,7-trimethyl-7,8-dihydro-4H-chromene-4,5(6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.