Methyl 2-cyano-3-methylcrotonate
TL;DR: Methyl 2-cyano-3-methylcrotonate (CAS 7721-23-5) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-methylbut-2-enoate
Also Known As: methyl 2-cyano-3-methylbut-2-enoate, Methyl 2-Cyano-3-methyl-2-butenoate, methyl 2-cyano-3-methylcrotonate, methyl 2-cyano-3-methyl-but-2-enoate, Methyl2-Cyano-3-methyl-2-butenoate
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 7721-23-5 |
|---|---|
| SMILES | CC(=C(C#N)C(=O)OC)C |
| InChIKey | UQJYFFMPKAPLJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-cyano-3-methylcrotonate (CAS 7721-23-5), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: methyl 2-cyano-3-methylbut-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-methylcrotonate
Property Insights of Methyl 2-cyano-3-methylcrotonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-methylcrotonate. With a topological polar surface area (TPSA) of 50.1 Ų, Methyl 2-cyano-3-methylcrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-cyano-3-methylcrotonate 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-cyano-3-methylcrotonate?
The CAS number of Methyl 2-cyano-3-methylcrotonate is 7721-23-5.
What is the molecular formula of Methyl 2-cyano-3-methylcrotonate?
The molecular formula of Methyl 2-cyano-3-methylcrotonate is C7H9NO2.
What is the molecular weight of Methyl 2-cyano-3-methylcrotonate?
The molecular weight of Methyl 2-cyano-3-methylcrotonate is 139.06 g/mol.
Where can I buy Methyl 2-cyano-3-methylcrotonate?
You can request a quote for Methyl 2-cyano-3-methylcrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-methylcrotonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-methylcrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.