4,5-Dimethoxycyclohex-3-ene-1,2-dione
TL;DR: 4,5-Dimethoxycyclohex-3-ene-1,2-dione (CAS 198134-67-7) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxycyclohex-3-ene-1,2-dione
Also Known As: 4,5-dimethoxycyclohex-3-ene-1,2-dione, 3,4-dimethoxycyclohex-2-ene-1,6-dione, 4,5-dimethoxy-3-cyclohexene-1,2-dione, 3-Cyclohexene-1,2-dione,4,5-dimethoxy-(9CI), 3-Cyclohexene-1,2-dione, 4,5-dimethoxy- (9CI)
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.0736 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 241.44241 |
Chemical Identifiers
| CAS Number | 198134-67-7 |
|---|---|
| SMILES | COC1CC(=O)C(=O)C=C1OC |
Product Overview
4,5-Dimethoxycyclohex-3-ene-1,2-dione (CAS 198134-67-7), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 4,5-dimethoxycyclohex-3-ene-1,2-dione.
Chemical Property Profile of 4,5-Dimethoxycyclohex-3-ene-1,2-dione
Property Insights of 4,5-Dimethoxycyclohex-3-ene-1,2-dione
The XLogP value of 0.0736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethoxycyclohex-3-ene-1,2-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 4,5-Dimethoxycyclohex-3-ene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethoxycyclohex-3-ene-1,2-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 4,5-Dimethoxycyclohex-3-ene-1,2-dione?
The CAS number of 4,5-Dimethoxycyclohex-3-ene-1,2-dione is 198134-67-7.
What is the molecular formula of 4,5-Dimethoxycyclohex-3-ene-1,2-dione?
The molecular formula of 4,5-Dimethoxycyclohex-3-ene-1,2-dione is C8H10O4.
What is the molecular weight of 4,5-Dimethoxycyclohex-3-ene-1,2-dione?
The molecular weight of 4,5-Dimethoxycyclohex-3-ene-1,2-dione is 170.06 g/mol.
Where can I buy 4,5-Dimethoxycyclohex-3-ene-1,2-dione?
You can request a quote for 4,5-Dimethoxycyclohex-3-ene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxycyclohex-3-ene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxycyclohex-3-ene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.