Isopropyl alpha,alpha-dichloropropionate
TL;DR: Isopropyl alpha,alpha-dichloropropionate (CAS 54587-48-3) is a chemical compound with molecular formula C6H10Cl2O2 and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,2-dichloropropanoate
Also Known As: Isopropyl 2,2-dichloropropanoate, propan-2-yl 2,2-dichloropropanoate, Isopropyl 2,2-dichloropropanoate #, Isopropyl .alpha.,.alpha.-dichloropropionate, 2,2-Dichloropropionic acid isopropyl ester
| Molecular Formula | C6H10Cl2O2 |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.00578 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 54587-48-3 |
|---|---|
| SMILES | CC(C)OC(=O)C(C)(Cl)Cl |
| InChIKey | QVZCJUSIWAGBDX-UHFFFAOYSA-N |
Product Overview
Isopropyl alpha,alpha-dichloropropionate (CAS 54587-48-3), with molecular formula C6H10Cl2O2 and molecular weight 184.01 g/mol. IUPAC: propan-2-yl 2,2-dichloropropanoate.
Chemical Property Profile of Isopropyl alpha,alpha-dichloropropionate
Property Insights of Isopropyl alpha,alpha-dichloropropionate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl alpha,alpha-dichloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl alpha,alpha-dichloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl alpha,alpha-dichloropropionate 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 Isopropyl alpha,alpha-dichloropropionate?
The CAS number of Isopropyl alpha,alpha-dichloropropionate is 54587-48-3.
What is the molecular formula of Isopropyl alpha,alpha-dichloropropionate?
The molecular formula of Isopropyl alpha,alpha-dichloropropionate is C6H10Cl2O2.
What is the molecular weight of Isopropyl alpha,alpha-dichloropropionate?
The molecular weight of Isopropyl alpha,alpha-dichloropropionate is 184.01 g/mol.
Where can I buy Isopropyl alpha,alpha-dichloropropionate?
You can request a quote for Isopropyl alpha,alpha-dichloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl alpha,alpha-dichloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl alpha,alpha-dichloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.