2,3-Dichloropropyl hexanoate
TL;DR: 2,3-Dichloropropyl hexanoate (CAS 88606-61-5) is a chemical compound with molecular formula C9H16Cl2O2 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloropropyl hexanoate
Also Known As: 2,3-Dichloropropyl hexanoate, Hexanoic acid, 2,3-dichloropropyl ester, 1-Propanol, 2,3-dichloro, hexanoate, RefChem:244584
| Molecular Formula | C9H16Cl2O2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.05273 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 88606-61-5 |
|---|---|
| SMILES | CCCCCC(=O)OCC(CCl)Cl |
| InChIKey | OAABQKLXCVXEFH-UHFFFAOYSA-N |
Product Overview
2,3-Dichloropropyl hexanoate (CAS 88606-61-5), with molecular formula C9H16Cl2O2 and molecular weight 226.05 g/mol. IUPAC: 2,3-dichloropropyl hexanoate.
Chemical Property Profile of 2,3-Dichloropropyl hexanoate
Property Insights of 2,3-Dichloropropyl hexanoate
The XLogP value of 3.3 indicates that 2,3-Dichloropropyl hexanoate 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 hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloropropyl hexanoate 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 hexanoate?
The CAS number of 2,3-Dichloropropyl hexanoate is 88606-61-5.
What is the molecular formula of 2,3-Dichloropropyl hexanoate?
The molecular formula of 2,3-Dichloropropyl hexanoate is C9H16Cl2O2.
What is the molecular weight of 2,3-Dichloropropyl hexanoate?
The molecular weight of 2,3-Dichloropropyl hexanoate is 226.05 g/mol.
Where can I buy 2,3-Dichloropropyl hexanoate?
You can request a quote for 2,3-Dichloropropyl hexanoate 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 hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloropropyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.