But-3-enyl 3-chlorobenzoate
TL;DR: But-3-enyl 3-chlorobenzoate (CAS 70458-29-6) is a chemical compound with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-enyl 3-chlorobenzoate
Also Known As: 3-butenyl m-chlorobenzoate, but-3-enyl 3-chlorobenzoate, but-3-en-1-yl 3-chlorobenzoate, 3-Chlorobenzoic acid 3-butenyl ester, Benzoic acid, 3-chloro, 3-butenyl ester
| Molecular Formula | C11H11ClO2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.04475 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 70458-29-6 |
|---|---|
| SMILES | C=CCCOC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | WHZYVADNTJUCRC-UHFFFAOYSA-N |
Product Overview
But-3-enyl 3-chlorobenzoate (CAS 70458-29-6), with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol. IUPAC: but-3-enyl 3-chlorobenzoate.
Chemical Property Profile of But-3-enyl 3-chlorobenzoate
Property Insights of But-3-enyl 3-chlorobenzoate
The XLogP value of 4.0 indicates that But-3-enyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, But-3-enyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-3-enyl 3-chlorobenzoate 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 But-3-enyl 3-chlorobenzoate?
The CAS number of But-3-enyl 3-chlorobenzoate is 70458-29-6.
What is the molecular formula of But-3-enyl 3-chlorobenzoate?
The molecular formula of But-3-enyl 3-chlorobenzoate is C11H11ClO2.
What is the molecular weight of But-3-enyl 3-chlorobenzoate?
The molecular weight of But-3-enyl 3-chlorobenzoate is 210.04 g/mol.
Where can I buy But-3-enyl 3-chlorobenzoate?
You can request a quote for But-3-enyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-3-enyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for But-3-enyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.