![Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester structure](/static/products/775/77573-32-1.png)
Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester
TL;DR: Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester (CAS 77573-32-1) is a chemical compound with molecular formula C18H18N4O6 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-[4-[(2,4-dinitrophenyl)diazenyl]phenyl]propanoate
Also Known As: 4-[azo]benzenepropanoicacidisopropylester, 4-[ azo]benzenepropanoicacidisopropylester, Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester, 4-[(2,4-Dinitrophenyl)azo]benzenepropanoic acid isopropyl ester, Isopropyl 3-(4-[(E)-(2,4-dinitrophenyl)diazenyl]phenyl)propanoate
| Molecular Formula | C18H18N4O6 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.12262 |
| Heavy Atoms | 28 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 77573-32-1 |
|---|---|
| SMILES | CC(C)OC(=O)CCC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JRNMWCQNLLKQDY-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester (CAS 77573-32-1), with molecular formula C18H18N4O6 and molecular weight 386.12 g/mol. IUPAC: propan-2-yl 3-[4-[(2,4-dinitrophenyl)diazenyl]phenyl]propanoate.
Chemical Property Profile of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester
Property Insights of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester
The XLogP value of 4.2 indicates that Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl 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]-, 1-methylethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl 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]-, 1-methylethyl ester?
The CAS number of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester is 77573-32-1.
What is the molecular formula of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester?
The molecular formula of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester is C18H18N4O6.
What is the molecular weight of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester?
The molecular weight of Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester is 386.12 g/mol.
Where can I buy Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester?
You can request a quote for Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl 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]-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.