(Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid
TL;DR: (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid (CAS 337348-12-6) is a chemical compound with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-(3-nitrophenyl)prop-2-enoic acid
Also Known As: BAS 01258166, (Z)-2-(4-isobutoxybenzamido)-3-(3-nitrophenyl)acrylic acid, (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid, (2Z)-2-({[4-(2-methylpropoxy)phenyl]carbonyl}amino)-3-(3-nitrophenyl)prop-2-enoic acid, (Z)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-(3-nitrophenyl)prop-2-enoic acid
| Molecular Formula | C20H20N2O6 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 3.4851 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.13214 |
| Heavy Atoms | 28 |
| Complexity | 903.1669 |
Chemical Identifiers
| CAS Number | 337348-12-6 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)O |
Product Overview
(Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid (CAS 337348-12-6), with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol. IUPAC: (Z)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-(3-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid
Property Insights of (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid
The XLogP value of 3.4851 indicates that (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid. Following Lipinski's Rule of Five, (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid has 2 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 (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid?
The CAS number of (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid is 337348-12-6.
What is the molecular formula of (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid?
The molecular formula of (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid is C20H20N2O6.
What is the molecular weight of (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid?
The molecular weight of (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid is 384.13 g/mol.
Where can I buy (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid?
You can request a quote for (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.