1-Methylallyl acetate
TL;DR: 1-Methylallyl acetate (CAS 6737-11-7) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-en-2-yl acetate
Also Known As: 3-Buten-2-yl Acetate, but-3-en-2-yl acetate, 1-Methylallyl acetate, Acetic Acid 3-Buten-2-yl Ester, 2-acetoxy-3-butene
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 6737-11-7 |
|---|---|
| SMILES | CC(C=C)OC(=O)C |
| InChIKey | LYWCPTCPTWCZSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylallyl acetate (CAS 6737-11-7), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: but-3-en-2-yl acetate.
Chemical Property Profile of 1-Methylallyl acetate
Property Insights of 1-Methylallyl acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylallyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylallyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylallyl acetate 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 1-Methylallyl acetate?
The CAS number of 1-Methylallyl acetate is 6737-11-7.
What is the molecular formula of 1-Methylallyl acetate?
The molecular formula of 1-Methylallyl acetate is C6H10O2.
What is the molecular weight of 1-Methylallyl acetate?
The molecular weight of 1-Methylallyl acetate is 114.07 g/mol.
Where can I buy 1-Methylallyl acetate?
You can request a quote for 1-Methylallyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylallyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylallyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.