Isopropyl 2,3-dichloropropionate
TL;DR: Isopropyl 2,3-dichloropropionate (CAS 54774-99-1) 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 2,3-dichloropropanoate
Also Known As: Isopropyl 2,3-dichloropropionate, propan-2-yl 2,3-dichloropropanoate, 2,3-Dichloropropionicacidisopropylester, Isopropyl 2,3-dichloropropanoate #, Isopropyl-alpha,beta-dichloro propionate
| Molecular Formula | C6H10Cl2O2 |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.00578 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 54774-99-1 |
|---|---|
| SMILES | CC(C)OC(=O)C(CCl)Cl |
| InChIKey | DQNKZNXCBULFCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 2,3-dichloropropionate (CAS 54774-99-1), with molecular formula C6H10Cl2O2 and molecular weight 184.01 g/mol. IUPAC: propan-2-yl 2,3-dichloropropanoate.
Chemical Property Profile of Isopropyl 2,3-dichloropropionate
Property Insights of Isopropyl 2,3-dichloropropionate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 2,3-dichloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 2,3-dichloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2,3-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 2,3-dichloropropionate?
The CAS number of Isopropyl 2,3-dichloropropionate is 54774-99-1.
What is the molecular formula of Isopropyl 2,3-dichloropropionate?
The molecular formula of Isopropyl 2,3-dichloropropionate is C6H10Cl2O2.
What is the molecular weight of Isopropyl 2,3-dichloropropionate?
The molecular weight of Isopropyl 2,3-dichloropropionate is 184.01 g/mol.
Where can I buy Isopropyl 2,3-dichloropropionate?
You can request a quote for Isopropyl 2,3-dichloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2,3-dichloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2,3-dichloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.