Octan-2-yl 2-chloropropanoate
TL;DR: Octan-2-yl 2-chloropropanoate (CAS 500786-98-1) 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.
octan-2-yl 2-chloropropanoate
Also Known As: octan-2-yl 2-chloropropanoate, Octan-2-yl2-chloropropanoate, 6818AB, 5-chloro-2-phenylsulfanylindan-1-one
| Molecular Formula | C11H21ClO2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 220.123 |
| Heavy Atoms | 14 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 500786-98-1 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)C(C)Cl |
| InChIKey | SNRMOKLQYYZTJR-UHFFFAOYSA-N |
Product Overview
Octan-2-yl 2-chloropropanoate (CAS 500786-98-1), with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol. IUPAC: octan-2-yl 2-chloropropanoate.
Chemical Property Profile of Octan-2-yl 2-chloropropanoate
Property Insights of Octan-2-yl 2-chloropropanoate
The XLogP value of 4.4 indicates that Octan-2-yl 2-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, Octan-2-yl 2-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octan-2-yl 2-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 Octan-2-yl 2-chloropropanoate?
The CAS number of Octan-2-yl 2-chloropropanoate is 500786-98-1.
What is the molecular formula of Octan-2-yl 2-chloropropanoate?
The molecular formula of Octan-2-yl 2-chloropropanoate is C11H21ClO2.
What is the molecular weight of Octan-2-yl 2-chloropropanoate?
The molecular weight of Octan-2-yl 2-chloropropanoate is 220.12 g/mol.
Where can I buy Octan-2-yl 2-chloropropanoate?
You can request a quote for Octan-2-yl 2-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octan-2-yl 2-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Octan-2-yl 2-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.