2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester
TL;DR: 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester (CAS 53783-80-5) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-oxo-4-phenyldiazenylcyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
Also Known As: 2-Propenoic acid, 2-methyl-, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester, (7-oxo-4-phenyldiazenylcyclohepta-1,3,5-trien-1-yl) 2-methyl, 2-Hydroxy-5-(phenylazo)-2,4,6-cycloheptatrien-1-one methacrylate, 2-Hydroxy-5-(phenylazo)-2,6-cycloheptatrien-1-one methacrylate, (7-oxo-4-phenyldiazenylcyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 53783-80-5 |
|---|---|
| SMILES | CC(=C)C(=O)OC1=CC=C(C=CC1=O)N=NC2=CC=CC=C2 |
| InChIKey | SWAJMNNRRFKLMQ-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester (CAS 53783-80-5), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: (7-oxo-4-phenyldiazenylcyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester
Property Insights of 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester
The XLogP value of 4.0 indicates that 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester has 0 hydrogen bond donor(s) and 5 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 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester?
The CAS number of 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester is 53783-80-5.
What is the molecular formula of 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester?
The molecular formula of 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester is C17H14N2O3.
What is the molecular weight of 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester?
The molecular weight of 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester is 294.10 g/mol.
Where can I buy 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester?
You can request a quote for 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.