Octyl 3-chloropropanoate
TL;DR: Octyl 3-chloropropanoate (CAS 63505-50-0) is a chemical compound with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 3-chloropropanoate
Also Known As: Octyl 3-chloropropanoate, Octyl 3-chloropropanoate #, 3-Chloropropionic acid, octyl ester, 3-Chlor-propionsaeure-octylester, Propanoic acid, 3-chloro-, octyl ester
| Molecular Formula | C11H21ClO2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 220.123 |
| Heavy Atoms | 14 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 63505-50-0 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCl |
| InChIKey | APSFWUHAPFXKHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl 3-chloropropanoate (CAS 63505-50-0), with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol. IUPAC: octyl 3-chloropropanoate.
Chemical Property Profile of Octyl 3-chloropropanoate
Property Insights of Octyl 3-chloropropanoate
The XLogP value of 3.9 indicates that Octyl 3-chloropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 3-chloropropanoate 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 Octyl 3-chloropropanoate?
The CAS number of Octyl 3-chloropropanoate is 63505-50-0.
What is the molecular formula of Octyl 3-chloropropanoate?
The molecular formula of Octyl 3-chloropropanoate is C11H21ClO2.
What is the molecular weight of Octyl 3-chloropropanoate?
The molecular weight of Octyl 3-chloropropanoate is 220.12 g/mol.
Where can I buy Octyl 3-chloropropanoate?
You can request a quote for Octyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.