buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile
TL;DR: buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile (CAS 35446-13-0) is a chemical compound with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;N-(hydroxymethyl)prop-2-enamide;2-methylprop-2-enoic acid;prop-2-enenitrile
Also Known As: buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile, 1,3-Butadiene, 2-propenenitrile, 2-methyl-2-propenoic acid, N-hydroxymethyl-2-propenamide
| Molecular Formula | C15H22N2O4 |
|---|---|
| Molecular Weight | 294.16 g/mol |
| LogP | 1.93988 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.15796 |
| Heavy Atoms | 21 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 35446-13-0 |
|---|---|
| SMILES | CC(=C)C(=O)O.C=CC=C.C=CC#N.C=CC(=O)NCO |
| InChIKey | QJTPWVWUSSQRAH-UHFFFAOYSA-N |
Product Overview
buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile (CAS 35446-13-0), with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol. IUPAC: buta-1,3-diene;N-(hydroxymethyl)prop-2-enamide;2-methylprop-2-enoic acid;prop-2-enenitrile.
Chemical Property Profile of buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile
Property Insights of buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile
The XLogP value of 1.93988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile. Following Lipinski's Rule of Five, buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile has 3 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 buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile?
The CAS number of buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile is 35446-13-0.
What is the molecular formula of buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile?
The molecular formula of buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile is C15H22N2O4.
What is the molecular weight of buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile?
The molecular weight of buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile is 294.16 g/mol.
Where can I buy buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile?
You can request a quote for buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for buta-1,3-diene; n-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.