Crotonic acid heptyl ester
TL;DR: Crotonic acid heptyl ester (CAS 17256-78-9) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl (E)-but-2-enoate
Also Known As: Heptyl crotonate, heptyl but-2-enoate, Heptyl 2-butenoate, HEPTYL-CROTONATE, Crotonic acid heptyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.0761 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 150.16927 |
Chemical Identifiers
| CAS Number | 17256-78-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)/C=C/C |
Product Overview
Crotonic acid heptyl ester (CAS 17256-78-9), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: heptyl (E)-but-2-enoate.
Chemical Property Profile of Crotonic acid heptyl ester
Property Insights of Crotonic acid heptyl ester
The XLogP value of 3.0761 indicates that Crotonic acid heptyl 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, Crotonic acid heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonic acid heptyl 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 Crotonic acid heptyl ester?
The CAS number of Crotonic acid heptyl ester is 17256-78-9.
What is the molecular formula of Crotonic acid heptyl ester?
The molecular formula of Crotonic acid heptyl ester is C11H20O2.
What is the molecular weight of Crotonic acid heptyl ester?
The molecular weight of Crotonic acid heptyl ester is 184.15 g/mol.
Where can I buy Crotonic acid heptyl ester?
You can request a quote for Crotonic acid heptyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonic acid heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Crotonic acid heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.