![Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester structure](/static/products/775/77573-34-3.png)
Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester
TL;DR: Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester (CAS 77573-34-3) is a chemical compound with molecular formula C16H14N4O6 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-[(2,4-dinitrophenyl)diazenyl]phenyl]propanoate
Also Known As: 4-[azo]benzenepropanoicacidmethylester, 4-[ azo]benzenepropanoicacidmethylester, Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester, methyl 3-[4-[(2,4-dinitrophenyl)diazenyl]phenyl]propanoate, 4-[(2,4-Dinitrophenyl)azo]benzenepropanoic acid methyl ester
| Molecular Formula | C16H14N4O6 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09134 |
| Heavy Atoms | 26 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 77573-34-3 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JMXFUOXJBKBXTK-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester (CAS 77573-34-3), with molecular formula C16H14N4O6 and molecular weight 358.09 g/mol. IUPAC: methyl 3-[4-[(2,4-dinitrophenyl)diazenyl]phenyl]propanoate.
Chemical Property Profile of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester
Property Insights of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester
The XLogP value of 3.4 indicates that Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester has 0 hydrogen bond donor(s) and 8 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 Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester?
The CAS number of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester is 77573-34-3.
What is the molecular formula of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester?
The molecular formula of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester is C16H14N4O6.
What is the molecular weight of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester?
The molecular weight of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester is 358.09 g/mol.
Where can I buy Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester?
You can request a quote for Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.