Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile
TL;DR: Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile (CAS 9010-81-5) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;2-methylprop-2-enoic acid;prop-2-enenitrile
Also Known As: buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile, 1,3-Butadiene, acrylonitrile, methacrylic acid polymer, Methacrylic acid, acrylonitrile, butadiene polymer, (C4-H6-O2.C4-H6.C3-H3-N)x-, 2-Propenoic acid, 2-methyl-, polymer with 1,3-butadiene and 2-propenenitrile
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.70148 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 9010-81-5 |
|---|---|
| SMILES | CC(=C)C(=O)O.C=CC=C.C=CC#N |
| InChIKey | FHTACFVZIAVFCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile (CAS 9010-81-5), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: buta-1,3-diene;2-methylprop-2-enoic acid;prop-2-enenitrile.
Chemical Property Profile of Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile
Property Insights of Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile
The XLogP value of 2.70148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile. Following Lipinski's Rule of Five, Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile has 1 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 Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile?
The CAS number of Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile is 9010-81-5.
What is the molecular formula of Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile?
The molecular formula of Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile is C11H15NO2.
What is the molecular weight of Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile?
The molecular weight of Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile is 193.11 g/mol.
Where can I buy Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile?
You can request a quote for Buta-1,3-diene; 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; 2-methylprop-2-enoic acid; prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for Buta-1,3-diene; 2-methylprop-2-enoic acid; prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.