Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid
TL;DR: Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid (CAS 31299-84-0) is a chemical compound with molecular formula C17H26N2O5 and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid
Also Known As: 2-Propenoic acid, polymer with butyl 2-propenoate, 2-methyl-2-propenamide and 2-propenenitrile, (C7-H12-O2.C4-H7-N-O.C3-H4-O2.C3-H3-N)x-, acrylic acid; butyl prop-2-enoate; 2-methylprop-2-enamide; prop-2-enenitrile, Acrylic acid, polymer with acrylonitrile, butyl acrylate and methacrylamide, butyl prop-2-enoate; 2-methylprop-2-enamide; prop-2-enenitrile; prop-2-enoic acid
| Molecular Formula | C17H26N2O5 |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 2.51648 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.18417 |
| Heavy Atoms | 24 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 31299-84-0 |
|---|---|
| SMILES | CCCCOC(=O)C=C.CC(=C)C(=O)N.C=CC#N.C=CC(=O)O |
| InChIKey | IQQWQDCRDGHZCF-UHFFFAOYSA-N |
Product Overview
Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid (CAS 31299-84-0), with molecular formula C17H26N2O5 and molecular weight 338.18 g/mol. IUPAC: butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid.
Chemical Property Profile of Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid
Property Insights of Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid
The XLogP value of 2.51648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid. Following Lipinski's Rule of Five, Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid has 2 hydrogen bond donor(s) and 6 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 Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid?
The CAS number of Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid is 31299-84-0.
What is the molecular formula of Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid?
The molecular formula of Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid is C17H26N2O5.
What is the molecular weight of Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid?
The molecular weight of Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid is 338.18 g/mol.
Where can I buy Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid?
You can request a quote for Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-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 Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for Butyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enenitrile;prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.