4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione
TL;DR: 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione (CAS 3265-69-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-6,8-dihydrochromene-2,5-dione
Also Known As: 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione, 4,7,7-trimethyl-6,8-dihydrochromene-2,5-dione, AB-337/40897016, 4,7,7-trimethyl-5,6,7,8-tetrahydro- cumarin-5-one, BRD-K60284649-001-01-7
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.10332 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 480.13086 |
Chemical Identifiers
| CAS Number | 3265-69-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C(=O)CC(C2)(C)C |
Product Overview
4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione (CAS 3265-69-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 4,7,7-trimethyl-6,8-dihydrochromene-2,5-dione.
Chemical Property Profile of 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione
Property Insights of 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione
The XLogP value of 2.10332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione. With a topological polar surface area (TPSA) of 47.28 Ų, 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(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
Frequently Asked Questions
What is the CAS number of 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione?
The CAS number of 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione is 3265-69-8.
What is the molecular formula of 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione?
The molecular formula of 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione is C12H14O3.
What is the molecular weight of 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione?
The molecular weight of 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione is 206.09 g/mol.
Where can I buy 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione?
You can request a quote for 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.