2,3-Dichloropropyl octanoate
TL;DR: 2,3-Dichloropropyl octanoate (CAS 88606-74-0) is a chemical compound with molecular formula C11H20Cl2O2 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloropropyl octanoate
Also Known As: 2,3-Dichloropropyl octanoate, Octanoic acid, 2,3-dichloropropyl ester, 1-Propanol, 2,3-dichloro, octanoate, Octanoic acid 2,3-dichloropropyl ester, Octanoic acid,2,3-dichloropropyl ester
| Molecular Formula | C11H20Cl2O2 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 254.08403 |
| Heavy Atoms | 15 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 88606-74-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(CCl)Cl |
| InChIKey | VWAHGSDENHZHOK-UHFFFAOYSA-N |
Product Overview
2,3-Dichloropropyl octanoate (CAS 88606-74-0), with molecular formula C11H20Cl2O2 and molecular weight 254.08 g/mol. IUPAC: 2,3-dichloropropyl octanoate.
Chemical Property Profile of 2,3-Dichloropropyl octanoate
Property Insights of 2,3-Dichloropropyl octanoate
The XLogP value of 4.4 indicates that 2,3-Dichloropropyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-Dichloropropyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloropropyl octanoate 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 2,3-Dichloropropyl octanoate?
The CAS number of 2,3-Dichloropropyl octanoate is 88606-74-0.
What is the molecular formula of 2,3-Dichloropropyl octanoate?
The molecular formula of 2,3-Dichloropropyl octanoate is C11H20Cl2O2.
What is the molecular weight of 2,3-Dichloropropyl octanoate?
The molecular weight of 2,3-Dichloropropyl octanoate is 254.08 g/mol.
Where can I buy 2,3-Dichloropropyl octanoate?
You can request a quote for 2,3-Dichloropropyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichloropropyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloropropyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.