![trimethyl[?]dione structure](/static/products/933/93354-31-5.png)
trimethyl[?]dione
TL;DR: trimethyl[?]dione (CAS 93354-31-5) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,7-trimethyl-2,6-dioxatricyclo[6.2.2.04,9]dodecane-3,5-dione
Also Known As: trimethyl[?]dione, 1,1,6-trimethyloctahydro-3H-6,4-(epoxymethano)isochromene-3,10-dione, 1,7,7-trimethyl-2,6-dioxatricyclo[6.2.2.0~4,9~]dodecane-3,5-dione, (+-)-3,6,6-trimethyl-(4ar,8ac)-hexahydro-3t,5t-ethano-pyrano, 1,1,6-Trimethyloctahydro-3H-6,4-(epoxymethano)-2-benzopyran-3,10-dione
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 93354-31-5 |
|---|---|
| SMILES | CC1(C2CCC3(CC2C(C(=O)O1)C(=O)O3)C)C |
| InChIKey | BOGWRXDLEWNHCD-UHFFFAOYSA-N |
Product Overview
trimethyl[?]dione (CAS 93354-31-5), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: 1,7,7-trimethyl-2,6-dioxatricyclo[6.2.2.04,9]dodecane-3,5-dione.
Chemical Property Profile of trimethyl[?]dione
Property Insights of trimethyl[?]dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trimethyl[?]dione. With a topological polar surface area (TPSA) of 52.6 Ų, trimethyl[?]dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trimethyl[?]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 trimethyl[?]dione?
The CAS number of trimethyl[?]dione is 93354-31-5.
What is the molecular formula of trimethyl[?]dione?
The molecular formula of trimethyl[?]dione is C13H18O4.
What is the molecular weight of trimethyl[?]dione?
The molecular weight of trimethyl[?]dione is 238.12 g/mol.
Where can I buy trimethyl[?]dione?
You can request a quote for trimethyl[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trimethyl[?]dione?
Yes, KEHONG BIO provides custom synthesis services for trimethyl[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.