![3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate structure](/static/products/301/301682-29-1.png)
3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate
TL;DR: 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate (CAS 301682-29-1) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-isopentyl 4-(3-(3-nitrophenyl)acrylamido)benzoate, 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate, 3-methylbutyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate, 3-methylbutyl 4-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}benzoate
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 4.4496 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 872.6196 |
Chemical Identifiers
| CAS Number | 301682-29-1 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate (CAS 301682-29-1), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: 3-methylbutyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate
Property Insights of 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate
The XLogP value of 4.4496 indicates that 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate. Following Lipinski's Rule of Five, 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate has 1 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-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate?
The CAS number of 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate is 301682-29-1.
What is the molecular formula of 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate?
The molecular formula of 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate is C21H22N2O5.
What is the molecular weight of 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate?
The molecular weight of 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate is 382.15 g/mol.
Where can I buy 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate?
You can request a quote for 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutyl 4-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.