Allyl-beta-allyloxypropionate
TL;DR: Allyl-beta-allyloxypropionate (CAS 58051-95-9) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 3-prop-2-enoxypropanoate
Also Known As: allyl 3-(allyloxy)propanoate, ALLYL-BETA-ALLYLOXYPROPIONATE, prop-2-en-1-yl 3-(prop-2-en-1-yloxy)propanoate, prop-2-enyl 3-prop-2-enoxypropanoate, 2-Propen-1-yl 3-(2-propen-1-yloxy)propanoate
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 58051-95-9 |
|---|---|
| SMILES | C=CCOCCC(=O)OCC=C |
| InChIKey | RPVFJOIVXCZWPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl-beta-allyloxypropionate (CAS 58051-95-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: prop-2-enyl 3-prop-2-enoxypropanoate.
Chemical Property Profile of Allyl-beta-allyloxypropionate
Property Insights of Allyl-beta-allyloxypropionate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl-beta-allyloxypropionate. With a topological polar surface area (TPSA) of 35.5 Ų, Allyl-beta-allyloxypropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl-beta-allyloxypropionate 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 Allyl-beta-allyloxypropionate?
The CAS number of Allyl-beta-allyloxypropionate is 58051-95-9.
What is the molecular formula of Allyl-beta-allyloxypropionate?
The molecular formula of Allyl-beta-allyloxypropionate is C9H14O3.
What is the molecular weight of Allyl-beta-allyloxypropionate?
The molecular weight of Allyl-beta-allyloxypropionate is 170.09 g/mol.
Where can I buy Allyl-beta-allyloxypropionate?
You can request a quote for Allyl-beta-allyloxypropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl-beta-allyloxypropionate?
Yes, KEHONG BIO provides custom synthesis services for Allyl-beta-allyloxypropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.