2-Methylene-3-butenoic acid ethyl ester
TL;DR: 2-Methylene-3-butenoic acid ethyl ester (CAS 44804-88-8) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylidenebut-3-enoate
Also Known As: ethyl 2-methylidenebut-3-enoate, 2-Methylene-3-butenoic acid ethyl ester, 2-carbethoxy-1,3-butadiene, Ethyl 2-methylenebut-3-enoate, J1.032.333I
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 44804-88-8 |
|---|---|
| SMILES | CCOC(=O)C(=C)C=C |
| InChIKey | VCIGZCZEWQKTQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylene-3-butenoic acid ethyl ester (CAS 44804-88-8), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: ethyl 2-methylidenebut-3-enoate.
Chemical Property Profile of 2-Methylene-3-butenoic acid ethyl ester
Property Insights of 2-Methylene-3-butenoic acid ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylene-3-butenoic acid ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylene-3-butenoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylene-3-butenoic acid ethyl ester has 0 hydrogen bond donor(s) and 2 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 2-Methylene-3-butenoic acid ethyl ester?
The CAS number of 2-Methylene-3-butenoic acid ethyl ester is 44804-88-8.
What is the molecular formula of 2-Methylene-3-butenoic acid ethyl ester?
The molecular formula of 2-Methylene-3-butenoic acid ethyl ester is C7H10O2.
What is the molecular weight of 2-Methylene-3-butenoic acid ethyl ester?
The molecular weight of 2-Methylene-3-butenoic acid ethyl ester is 126.07 g/mol.
Where can I buy 2-Methylene-3-butenoic acid ethyl ester?
You can request a quote for 2-Methylene-3-butenoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylene-3-butenoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylene-3-butenoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.