Benzoic acid, 4-chloro, 3-butenyl ester
TL;DR: Benzoic acid, 4-chloro, 3-butenyl ester (CAS 99893-75-1) 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 4-chlorobenzoate
Also Known As: but-3-enyl 4-chlorobenzoate, But-3-en-1-yl 4-chlorobenzoate, Benzoic acid, 4-chloro, 3-butenyl ester
| Molecular Formula | C11H11ClO2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 3.7 |
| 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 | 195.0 |
Chemical Identifiers
| CAS Number | 99893-75-1 |
|---|---|
| SMILES | C=CCCOC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | CCAMJMBCNQYMAR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-chloro, 3-butenyl ester (CAS 99893-75-1), with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol. IUPAC: but-3-enyl 4-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 4-chloro, 3-butenyl ester
Property Insights of Benzoic acid, 4-chloro, 3-butenyl ester
The XLogP value of 3.7 indicates that Benzoic acid, 4-chloro, 3-butenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 4-chloro, 3-butenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro, 3-butenyl ester 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 Benzoic acid, 4-chloro, 3-butenyl ester?
The CAS number of Benzoic acid, 4-chloro, 3-butenyl ester is 99893-75-1.
What is the molecular formula of Benzoic acid, 4-chloro, 3-butenyl ester?
The molecular formula of Benzoic acid, 4-chloro, 3-butenyl ester is C11H11ClO2.
What is the molecular weight of Benzoic acid, 4-chloro, 3-butenyl ester?
The molecular weight of Benzoic acid, 4-chloro, 3-butenyl ester is 210.04 g/mol.
Where can I buy Benzoic acid, 4-chloro, 3-butenyl ester?
You can request a quote for Benzoic acid, 4-chloro, 3-butenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-chloro, 3-butenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro, 3-butenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.