Propyl crotonate
TL;DR: Propyl crotonate (CAS 7726-60-5) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl (E)-but-2-enoate
Also Known As: Propyl crotonate, Propyl 2-butenoate, Propylcrotonat, propyl (E)-but-2-enoate, propyl but-2-enoate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.5157 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 105.48378 |
Chemical Identifiers
| CAS Number | 7726-60-5 |
|---|---|
| SMILES | CCCOC(=O)/C=C/C |
Product Overview
Propyl crotonate (CAS 7726-60-5), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: propyl (E)-but-2-enoate.
Chemical Property Profile of Propyl crotonate
Property Insights of Propyl crotonate
The XLogP value of 1.5157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl crotonate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl crotonate 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 Propyl crotonate?
The CAS number of Propyl crotonate is 7726-60-5.
What is the molecular formula of Propyl crotonate?
The molecular formula of Propyl crotonate is C7H12O2.
What is the molecular weight of Propyl crotonate?
The molecular weight of Propyl crotonate is 128.08 g/mol.
Where can I buy Propyl crotonate?
You can request a quote for Propyl crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl crotonate?
Yes, KEHONG BIO provides custom synthesis services for Propyl crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.