2-Propenoic acid, 5-methylene-6-heptenyl ester
TL;DR: 2-Propenoic acid, 5-methylene-6-heptenyl ester (CAS 74785-39-0) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylidenehept-6-enyl prop-2-enoate
Also Known As: 5-Methylene-6-heptenyl acrylate, 5-Methylene-6-heptenyl acrylate #, 5-methylidenehept-6-enyl prop-2-enoate, acrylic acid 5-methylidene-6-heptenyl ester, 2-Propenoic acid, 5-methylene-6-heptenyl ester
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 74785-39-0 |
|---|---|
| SMILES | C=CC(=C)CCCCOC(=O)C=C |
| InChIKey | IPOVXXIXWHRBQJ-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 5-methylene-6-heptenyl ester (CAS 74785-39-0), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 5-methylidenehept-6-enyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 5-methylene-6-heptenyl ester
Property Insights of 2-Propenoic acid, 5-methylene-6-heptenyl ester
The XLogP value of 4.0 indicates that 2-Propenoic acid, 5-methylene-6-heptenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 5-methylene-6-heptenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 5-methylene-6-heptenyl 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-Propenoic acid, 5-methylene-6-heptenyl ester?
The CAS number of 2-Propenoic acid, 5-methylene-6-heptenyl ester is 74785-39-0.
What is the molecular formula of 2-Propenoic acid, 5-methylene-6-heptenyl ester?
The molecular formula of 2-Propenoic acid, 5-methylene-6-heptenyl ester is C11H16O2.
What is the molecular weight of 2-Propenoic acid, 5-methylene-6-heptenyl ester?
The molecular weight of 2-Propenoic acid, 5-methylene-6-heptenyl ester is 180.12 g/mol.
Where can I buy 2-Propenoic acid, 5-methylene-6-heptenyl ester?
You can request a quote for 2-Propenoic acid, 5-methylene-6-heptenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 5-methylene-6-heptenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 5-methylene-6-heptenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.