![methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate structure](/static/products/7628/7628-61-7.webp)
methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate
TL;DR: methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate (CAS 7628-61-7) is a chemical compound with molecular formula C17H17NO6 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino]-3-oxopropanoate
Also Known As: methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate, methyl 3-[[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl], methyl 3-[[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino]-3-oxopropanoate, Methyl 3-{[2-(2H-1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate, Malonamic acid,N-[2-[3,4-(methylenedioxy)phenyl]-4-oxo-2-cyclohexen-1-yl]-, methyl ester(7CI,8CI)
| Molecular Formula | C17H17NO6 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1056 |
| Heavy Atoms | 24 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 7628-61-7 |
|---|---|
| SMILES | COC(=O)CC(=O)NC1CCC(=O)C=C1C2=CC3=C(C=C2)OCO3 |
| InChIKey | RFSWBPDHWIEILS-UHFFFAOYSA-N |
Product Overview
methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate (CAS 7628-61-7), with molecular formula C17H17NO6 and molecular weight 331.11 g/mol. IUPAC: methyl 3-[[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino]-3-oxopropanoate.
Chemical Property Profile of methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate
Property Insights of methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate. Following Lipinski's Rule of Five, methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate has 1 hydrogen bond donor(s) and 6 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 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate?
The CAS number of methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate is 7628-61-7.
What is the molecular formula of methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate?
The molecular formula of methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate is C17H17NO6.
What is the molecular weight of methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate?
The molecular weight of methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate is 331.11 g/mol.
Where can I buy methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate?
You can request a quote for methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-en-1-yl]amino}-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.