2,3-Dichloropropyl isohexanoate
TL;DR: 2,3-Dichloropropyl isohexanoate (CAS 88606-63-7) 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 4-methylpentanoate
Also Known As: 2,3-Dichloropropyl isohexanoate, 2,3-dichloropropyl 4-methylpentanoate, 1-Propanol, 2,3-dichloro, 4-methylpentanoate, Pentanoic acid, 4-methyl-, 2,3-dichloropropyl ester, RefChem:244586
| Molecular Formula | C9H16Cl2O2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.05273 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 88606-63-7 |
|---|---|
| SMILES | CC(C)CCC(=O)OCC(CCl)Cl |
| InChIKey | QKQSJQLWPHJUEY-UHFFFAOYSA-N |
Product Overview
2,3-Dichloropropyl isohexanoate (CAS 88606-63-7), with molecular formula C9H16Cl2O2 and molecular weight 226.05 g/mol. IUPAC: 2,3-dichloropropyl 4-methylpentanoate.
Chemical Property Profile of 2,3-Dichloropropyl isohexanoate
Property Insights of 2,3-Dichloropropyl isohexanoate
The XLogP value of 3.0 indicates that 2,3-Dichloropropyl isohexanoate 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 isohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloropropyl isohexanoate 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 isohexanoate?
The CAS number of 2,3-Dichloropropyl isohexanoate is 88606-63-7.
What is the molecular formula of 2,3-Dichloropropyl isohexanoate?
The molecular formula of 2,3-Dichloropropyl isohexanoate is C9H16Cl2O2.
What is the molecular weight of 2,3-Dichloropropyl isohexanoate?
The molecular weight of 2,3-Dichloropropyl isohexanoate is 226.05 g/mol.
Where can I buy 2,3-Dichloropropyl isohexanoate?
You can request a quote for 2,3-Dichloropropyl isohexanoate 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 isohexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloropropyl isohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.