4-Tert-butyl-2-chlorophenyl propanoate
TL;DR: 4-Tert-butyl-2-chlorophenyl propanoate (CAS 5457-92-1) is a chemical compound with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butyl-2-chlorophenyl) propanoate
Also Known As: 4-tert-butyl-2-chlorophenyl propanoate, (4-tert-butyl-2-chlorophenyl) propanoate, propionic acid-(4-tert-butyl-2-chloro-phenyl ester)
| Molecular Formula | C13H17ClO2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.0917 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 5457-92-1 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1)C(C)(C)C)Cl |
| InChIKey | SQUHGLSFPNEXRN-UHFFFAOYSA-N |
Product Overview
4-Tert-butyl-2-chlorophenyl propanoate (CAS 5457-92-1), with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol. IUPAC: (4-tert-butyl-2-chlorophenyl) propanoate.
Chemical Property Profile of 4-Tert-butyl-2-chlorophenyl propanoate
Property Insights of 4-Tert-butyl-2-chlorophenyl propanoate
The XLogP value of 4.4 indicates that 4-Tert-butyl-2-chlorophenyl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Tert-butyl-2-chlorophenyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-2-chlorophenyl propanoate 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 4-Tert-butyl-2-chlorophenyl propanoate?
The CAS number of 4-Tert-butyl-2-chlorophenyl propanoate is 5457-92-1.
What is the molecular formula of 4-Tert-butyl-2-chlorophenyl propanoate?
The molecular formula of 4-Tert-butyl-2-chlorophenyl propanoate is C13H17ClO2.
What is the molecular weight of 4-Tert-butyl-2-chlorophenyl propanoate?
The molecular weight of 4-Tert-butyl-2-chlorophenyl propanoate is 240.09 g/mol.
Where can I buy 4-Tert-butyl-2-chlorophenyl propanoate?
You can request a quote for 4-Tert-butyl-2-chlorophenyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-2-chlorophenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-2-chlorophenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.