Octan-2-yl 3-chloropropanoate
TL;DR: Octan-2-yl 3-chloropropanoate (CAS 91369-32-3) 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 3-chloropropanoate
Also Known As: octan-2-yl 3-chloropropanoate, 1-Methylheptyl 3-chloropropanoate, 1-Methylheptyl 3-chloropropanoate #, 3-Chloropropanoic acid, 2-octyl ester, RefChem:366796
| 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 | 9 |
| Exact Mass | 220.123 |
| Heavy Atoms | 14 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 91369-32-3 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)CCCl |
| InChIKey | FOPQMWMNACIDTR-UHFFFAOYSA-N |
Product Overview
Octan-2-yl 3-chloropropanoate (CAS 91369-32-3), with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol. IUPAC: octan-2-yl 3-chloropropanoate.
Chemical Property Profile of Octan-2-yl 3-chloropropanoate
Property Insights of Octan-2-yl 3-chloropropanoate
The XLogP value of 3.9 indicates that Octan-2-yl 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, Octan-2-yl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octan-2-yl 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 Octan-2-yl 3-chloropropanoate?
The CAS number of Octan-2-yl 3-chloropropanoate is 91369-32-3.
What is the molecular formula of Octan-2-yl 3-chloropropanoate?
The molecular formula of Octan-2-yl 3-chloropropanoate is C11H21ClO2.
What is the molecular weight of Octan-2-yl 3-chloropropanoate?
The molecular weight of Octan-2-yl 3-chloropropanoate is 220.12 g/mol.
Where can I buy Octan-2-yl 3-chloropropanoate?
You can request a quote for Octan-2-yl 3-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 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Octan-2-yl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.