![4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid structure](/static/products/4812/4812-71-9.webp)
4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid
TL;DR: 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid (CAS 4812-71-9) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 3-chloro-5-nitro-2H-indazole, 4-[(4-methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid, Maleamic acid,N-(1-isopropyl-3-phenylpropyl)- (7CI,8CI), (Z)-4-[(4-methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 4812-71-9 |
|---|---|
| SMILES | CC(C)C(CCC1=CC=CC=C1)NC(=O)C=CC(=O)O |
| InChIKey | OKGJLFMCKIQASQ-UHFFFAOYSA-N |
Product Overview
4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid (CAS 4812-71-9), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: 4-[(4-methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid
Property Insights of 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid
The XLogP value of 3.0 indicates that 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 3 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 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid?
The CAS number of 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid is 4812-71-9.
What is the molecular formula of 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid is C16H21NO3.
What is the molecular weight of 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid is 275.15 g/mol.
Where can I buy 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.