Crotyl propionate
TL;DR: Crotyl propionate (CAS 22874-75-5) 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.
but-2-enyl propanoate
Also Known As: crotyl propionate, but-2-enyl propanoate, 2-Buten-1-ol, propanoate, but-2-en-1-ol,propanoic acid
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 22874-75-5 |
|---|---|
| SMILES | CCC(=O)OCC=CC |
| InChIKey | UCXAUVOTLFMULL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Crotyl propionate (CAS 22874-75-5), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: but-2-enyl propanoate.
Chemical Property Profile of Crotyl propionate
Property Insights of Crotyl propionate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, Crotyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotyl propionate 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 Crotyl propionate?
The CAS number of Crotyl propionate is 22874-75-5.
What is the molecular formula of Crotyl propionate?
The molecular formula of Crotyl propionate is C7H12O2.
What is the molecular weight of Crotyl propionate?
The molecular weight of Crotyl propionate is 128.08 g/mol.
Where can I buy Crotyl propionate?
You can request a quote for Crotyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotyl propionate?
Yes, KEHONG BIO provides custom synthesis services for Crotyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.