![(2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid structure](/static/products/6559/65591-48-2.webp)
(2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid
TL;DR: (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid (CAS 65591-48-2) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(2-methylpropylamino)-4-oxobut-2-enoic acid
Also Known As: HcvL@NAFR[VuffZjAFH, 4-(isobutylamino)-4-oxobut-2-enoic acid, (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid, (Z)-4-(2-methylpropylamino)-4-oxobut-2-enoic acid, (2Z)-3-[N-(2-methylpropyl)carbamoyl]prop-2-enoic acid
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 0.3994 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 196.47966 |
Chemical Identifiers
| CAS Number | 65591-48-2 |
|---|---|
| SMILES | CC(C)CNC(=O)/C=C\C(=O)O |
Product Overview
(2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid (CAS 65591-48-2), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: (Z)-4-(2-methylpropylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid
Property Insights of (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid
The XLogP value of 0.3994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 2 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 (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid?
The CAS number of (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid is 65591-48-2.
What is the molecular formula of (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid is C8H13NO3.
What is the molecular weight of (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid is 171.09 g/mol.
Where can I buy (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (2Z)-4-[(2-methylpropyl)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 (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.