Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate
TL;DR: Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS 64416-88-2) is a chemical compound with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: isopropyl 2-(4-chlorophenoxy)-2-methylpropanoate, propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate, 5-bromo-4-chloro-3-indolylcaprylate, ISOPROPYL2- -2-METHYLPROPANOATE, Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, 1-methylethyl ester
| Molecular Formula | C13H17ClO3 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 3.449 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.0866 |
| Heavy Atoms | 17 |
| Complexity | 382.15598 |
Chemical Identifiers
| CAS Number | 64416-88-2 |
|---|---|
| SMILES | CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)Cl |
Product Overview
Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS 64416-88-2), with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol. IUPAC: propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate
Property Insights of Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate
The XLogP value of 3.449 indicates that Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate has 0 hydrogen bond donor(s) and 3 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 Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate?
The CAS number of Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate is 64416-88-2.
What is the molecular formula of Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate?
The molecular formula of Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate is C13H17ClO3.
What is the molecular weight of Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate?
The molecular weight of Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate is 256.09 g/mol.
Where can I buy Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate?
You can request a quote for Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.