2-Chloroprop-2-enyl but-2-enoate
TL;DR: 2-Chloroprop-2-enyl but-2-enoate (CAS 44912-54-1) is a chemical compound with molecular formula C7H9ClO2 and molecular weight 160.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroprop-2-enyl but-2-enoate
Also Known As: 2-chloroprop-2-enyl (E)-but-2-enoate
| Molecular Formula | C7H9ClO2 |
|---|---|
| Molecular Weight | 160.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.02911 |
| Heavy Atoms | 10 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 44912-54-1 |
|---|---|
| SMILES | CC=CC(=O)OCC(=C)Cl |
| InChIKey | SGDUJTQUQYLRFH-UHFFFAOYSA-N |
Product Overview
2-Chloroprop-2-enyl but-2-enoate (CAS 44912-54-1), with molecular formula C7H9ClO2 and molecular weight 160.03 g/mol. IUPAC: 2-chloroprop-2-enyl but-2-enoate.
Chemical Property Profile of 2-Chloroprop-2-enyl but-2-enoate
Property Insights of 2-Chloroprop-2-enyl but-2-enoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroprop-2-enyl but-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroprop-2-enyl but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroprop-2-enyl but-2-enoate 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-Chloroprop-2-enyl but-2-enoate?
The CAS number of 2-Chloroprop-2-enyl but-2-enoate is 44912-54-1.
What is the molecular formula of 2-Chloroprop-2-enyl but-2-enoate?
The molecular formula of 2-Chloroprop-2-enyl but-2-enoate is C7H9ClO2.
What is the molecular weight of 2-Chloroprop-2-enyl but-2-enoate?
The molecular weight of 2-Chloroprop-2-enyl but-2-enoate is 160.03 g/mol.
Where can I buy 2-Chloroprop-2-enyl but-2-enoate?
You can request a quote for 2-Chloroprop-2-enyl but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroprop-2-enyl but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroprop-2-enyl but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.