3-烯丙氧基烯丙基乙酸酯
TL;DR: 3-烯丙氧基烯丙基乙酸酯 (CAS 64046-61-3) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-烯丙氧基烯丙基乙酸酯
3-prop-2-enoxyprop-2-enyl acetate
Also Known As: Aceticacid3-allyloxyallylester, Acetic acid 3-allyloxyallyl ester
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 64046-61-3 |
|---|---|
| SMILES | CC(=O)OCC=COCC=C |
| InChIKey | BDUHVPAGYVHMRZ-UHFFFAOYSA-N |
Product Overview
3-烯丙氧基烯丙基乙酸酯 (CAS 64046-61-3), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: 3-prop-2-enoxyprop-2-enyl acetate.
Chemical Property Profile of 3-烯丙氧基烯丙基乙酸酯
Property Insights of 3-烯丙氧基烯丙基乙酸酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-烯丙氧基烯丙基乙酸酯. With a topological polar surface area (TPSA) of 35.5 Ų, 3-烯丙氧基烯丙基乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-烯丙氧基烯丙基乙酸酯 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 3-烯丙氧基烯丙基乙酸酯?
The CAS number of 3-烯丙氧基烯丙基乙酸酯 is 64046-61-3.
What is the molecular formula of 3-烯丙氧基烯丙基乙酸酯?
The molecular formula of 3-烯丙氧基烯丙基乙酸酯 is C8H12O3.
What is the molecular weight of 3-烯丙氧基烯丙基乙酸酯?
The molecular weight of 3-烯丙氧基烯丙基乙酸酯 is 156.08 g/mol.
Where can I buy 3-烯丙氧基烯丙基乙酸酯?
You can request a quote for 3-烯丙氧基烯丙基乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-烯丙氧基烯丙基乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-烯丙氧基烯丙基乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.