![Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate structure](/static/products/1232/123219-86-3.webp)
Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate
TL;DR: Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate (CAS 123219-86-3) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(4-methoxy-4-oxobut-2-en-2-yl)-3-methylcyclohex-2-ene-1-carboxylate
Also Known As: Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate, 2-Cyclohexene-1-carboxylicacid,3-methyl-6-(3-methoxy-1-methyl-3-oxo-1-propenyl)-,methyl ester(9ci)
| Molecular Formula | C14H20O4 |
|---|---|
| Molecular Weight | 252.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.13615 |
| Heavy Atoms | 18 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 123219-86-3 |
|---|---|
| SMILES | CC1=CC(C(CC1)C(=CC(=O)OC)C)C(=O)OC |
| InChIKey | VARCDWGREFUVCN-UHFFFAOYSA-N |
Product Overview
Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate (CAS 123219-86-3), with molecular formula C14H20O4 and molecular weight 252.14 g/mol. IUPAC: methyl 6-(4-methoxy-4-oxobut-2-en-2-yl)-3-methylcyclohex-2-ene-1-carboxylate.
Chemical Property Profile of Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate
Property Insights of Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate 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 Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate?
The CAS number of Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate is 123219-86-3.
What is the molecular formula of Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate?
The molecular formula of Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate is C14H20O4.
What is the molecular weight of Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate?
The molecular weight of Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate is 252.14 g/mol.
Where can I buy Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate?
You can request a quote for Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.