3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester
TL;DR: 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester (CAS 89023-01-8) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
Also Known As: BAS 00171034, 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester, 4-nitrophenyl 3-(4-methoxyphenyl)prop-2-enoate, (4-nitrophenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate, 4-Nitrophenyl (2E)-3-(4-methoxyphenyl)-2-propenoate #
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 3.2222 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 689.481 |
Chemical Identifiers
| CAS Number | 89023-01-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester (CAS 89023-01-8), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: (4-nitrophenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester
Property Insights of 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester
The XLogP value of 3.2222 indicates that 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester. Following Lipinski's Rule of Five, 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl 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 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester?
The CAS number of 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester is 89023-01-8.
What is the molecular formula of 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester?
The molecular formula of 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester is C16H13NO5.
What is the molecular weight of 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester?
The molecular weight of 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester is 299.08 g/mol.
Where can I buy 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester?
You can request a quote for 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxy-phenyl)-acrylic acid 4-nitro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.