Isopropyl 3-chloropropionate
TL;DR: Isopropyl 3-chloropropionate (CAS 691-93-0) is a chemical compound with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-chloropropanoate
Also Known As: Isopropyl 3-chloropropionate, propan-2-yl 3-chloropropanoate, erythromycin, Isopropyl 3-chloropropanoate, isopropyl3-chloropropionate
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 691-93-0 |
|---|---|
| SMILES | CC(C)OC(=O)CCCl |
| InChIKey | YPAMSUOJRFMSIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 3-chloropropionate (CAS 691-93-0), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: propan-2-yl 3-chloropropanoate.
Chemical Property Profile of Isopropyl 3-chloropropionate
Property Insights of Isopropyl 3-chloropropionate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 3-chloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 3-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-chloropropionate 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 3-chloropropionate?
The CAS number of Isopropyl 3-chloropropionate is 691-93-0.
What is the molecular formula of Isopropyl 3-chloropropionate?
The molecular formula of Isopropyl 3-chloropropionate is C6H11ClO2.
What is the molecular weight of Isopropyl 3-chloropropionate?
The molecular weight of Isopropyl 3-chloropropionate is 150.04 g/mol.
Where can I buy Isopropyl 3-chloropropionate?
You can request a quote for Isopropyl 3-chloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3-chloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.