Tert-butyl 2,4-dichlorobenzoate
TL;DR: Tert-butyl 2,4-dichlorobenzoate (CAS 220283-13-6) is a chemical compound with molecular formula C11H12Cl2O2 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,4-dichlorobenzoate
Also Known As: Tert-butyl 2,4-dichlorobenzoate, 2,4-Dichlorobenzoic acid tert-butyl ester, J2.821.382D, A1-08595
| Molecular Formula | C11H12Cl2O2 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 3.9487 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.02144 |
| Heavy Atoms | 15 |
| Complexity | 380.66458 |
Chemical Identifiers
| CAS Number | 220283-13-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=C(C=C(C=C1)Cl)Cl |
Product Overview
Tert-butyl 2,4-dichlorobenzoate (CAS 220283-13-6), with molecular formula C11H12Cl2O2 and molecular weight 246.02 g/mol. IUPAC: tert-butyl 2,4-dichlorobenzoate.
Chemical Property Profile of Tert-butyl 2,4-dichlorobenzoate
Property Insights of Tert-butyl 2,4-dichlorobenzoate
The XLogP value of 3.9487 indicates that Tert-butyl 2,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 2,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2,4-dichlorobenzoate 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 Tert-butyl 2,4-dichlorobenzoate?
The CAS number of Tert-butyl 2,4-dichlorobenzoate is 220283-13-6.
What is the molecular formula of Tert-butyl 2,4-dichlorobenzoate?
The molecular formula of Tert-butyl 2,4-dichlorobenzoate is C11H12Cl2O2.
What is the molecular weight of Tert-butyl 2,4-dichlorobenzoate?
The molecular weight of Tert-butyl 2,4-dichlorobenzoate is 246.02 g/mol.
Where can I buy Tert-butyl 2,4-dichlorobenzoate?
You can request a quote for Tert-butyl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.