Methyl butadienecarboxylate
TL;DR: Methyl butadienecarboxylate (CAS 1515-75-9) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl penta-2,4-dienoate
Also Known As: Methyl penta-2,4-dienoate, methyl butadienecarboxylate, Methyl 2,4-pentadienoate, methyl (2E)-penta-2,4-dienoate, 2,4-Pentadienoic acid, methyl ester
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 1515-75-9 |
|---|---|
| SMILES | COC(=O)C=CC=C |
| InChIKey | LJDLNNZTQJVBNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl butadienecarboxylate (CAS 1515-75-9), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: methyl penta-2,4-dienoate.
Chemical Property Profile of Methyl butadienecarboxylate
Property Insights of Methyl butadienecarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl butadienecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl butadienecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl butadienecarboxylate 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 Methyl butadienecarboxylate?
The CAS number of Methyl butadienecarboxylate is 1515-75-9.
What is the molecular formula of Methyl butadienecarboxylate?
The molecular formula of Methyl butadienecarboxylate is C6H8O2.
What is the molecular weight of Methyl butadienecarboxylate?
The molecular weight of Methyl butadienecarboxylate is 112.05 g/mol.
Where can I buy Methyl butadienecarboxylate?
You can request a quote for Methyl butadienecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl butadienecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl butadienecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.