Methyl 2-methylprop-2-enoate;prop-2-enenitrile
TL;DR: Methyl 2-methylprop-2-enoate;prop-2-enenitrile (CAS 8013-92-1) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylprop-2-enoate;prop-2-enenitrile
Also Known As: methyl methacrylate acrylonitrile, (C5-H8-O2.C3-H3-N)x-, methyl 2-methylprop-2-enoate;prop-2-enenitrile, methyl 2-methylprop-2-enoate; prop-2-enenitrile, 2-Propenoic acid, 2-methyl-, methyl ester, polymer with 2-propenenitrile
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 1.43148 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 8013-92-1 |
|---|---|
| SMILES | CC(=C)C(=O)OC.C=CC#N |
| InChIKey | SMUVTFSHWISULV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methylprop-2-enoate;prop-2-enenitrile (CAS 8013-92-1), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: methyl 2-methylprop-2-enoate;prop-2-enenitrile.
Chemical Property Profile of Methyl 2-methylprop-2-enoate;prop-2-enenitrile
Property Insights of Methyl 2-methylprop-2-enoate;prop-2-enenitrile
The XLogP value of 1.43148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methylprop-2-enoate;prop-2-enenitrile. With a topological polar surface area (TPSA) of 50.1 Ų, Methyl 2-methylprop-2-enoate;prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methylprop-2-enoate;prop-2-enenitrile has 0 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 Methyl 2-methylprop-2-enoate;prop-2-enenitrile?
The CAS number of Methyl 2-methylprop-2-enoate;prop-2-enenitrile is 8013-92-1.
What is the molecular formula of Methyl 2-methylprop-2-enoate;prop-2-enenitrile?
The molecular formula of Methyl 2-methylprop-2-enoate;prop-2-enenitrile is C8H11NO2.
What is the molecular weight of Methyl 2-methylprop-2-enoate;prop-2-enenitrile?
The molecular weight of Methyl 2-methylprop-2-enoate;prop-2-enenitrile is 153.08 g/mol.
Where can I buy Methyl 2-methylprop-2-enoate;prop-2-enenitrile?
You can request a quote for Methyl 2-methylprop-2-enoate;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 Methyl 2-methylprop-2-enoate;prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methylprop-2-enoate;prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.