3-Buten-1-ol, trichloroacetate
TL;DR: 3-Buten-1-ol, trichloroacetate (CAS 90449-06-2) is a chemical compound with molecular formula C6H7Cl3O2 and molecular weight 215.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-enyl 2,2,2-trichloroacetate
Also Known As: 3-Buten-1-ol, trichloroacetate, but-3-enyl 2,2,2-trichloroacetate, But-3-en-1-yl trichloroacetate, Acetic acid,trichloro-,3-butenyl ester, Acetic acid, trichloro-, 3-butenyl ester
| Molecular Formula | C6H7Cl3O2 |
|---|---|
| Molecular Weight | 215.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.95116 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 90449-06-2 |
|---|---|
| SMILES | C=CCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | JNUGOAAJACVGAL-UHFFFAOYSA-N |
Product Overview
3-Buten-1-ol, trichloroacetate (CAS 90449-06-2), with molecular formula C6H7Cl3O2 and molecular weight 215.95 g/mol. IUPAC: but-3-enyl 2,2,2-trichloroacetate.
Chemical Property Profile of 3-Buten-1-ol, trichloroacetate
Property Insights of 3-Buten-1-ol, trichloroacetate
The XLogP value of 3.1 indicates that 3-Buten-1-ol, trichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Buten-1-ol, trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-1-ol, trichloroacetate 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 3-Buten-1-ol, trichloroacetate?
The CAS number of 3-Buten-1-ol, trichloroacetate is 90449-06-2.
What is the molecular formula of 3-Buten-1-ol, trichloroacetate?
The molecular formula of 3-Buten-1-ol, trichloroacetate is C6H7Cl3O2.
What is the molecular weight of 3-Buten-1-ol, trichloroacetate?
The molecular weight of 3-Buten-1-ol, trichloroacetate is 215.95 g/mol.
Where can I buy 3-Buten-1-ol, trichloroacetate?
You can request a quote for 3-Buten-1-ol, trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-1-ol, trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-1-ol, trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.