Propanoic acid, 2,2-dichloro-, hexyl ester
TL;DR: Propanoic acid, 2,2-dichloro-, hexyl ester (CAS 68144-75-2) 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.
hexyl 2,2-dichloropropanoate
Also Known As: HEXYL 2,2-DICHLOROPROPANOATE, Propanoic acid, 2,2-dichloro-, hexyl ester, Propanoic acid,2,2-dichloro-,hexyl ester
| Molecular Formula | C9H16Cl2O2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 4.0 |
| 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 | 158.0 |
Chemical Identifiers
| CAS Number | 68144-75-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C)(Cl)Cl |
| InChIKey | ASUBPNKOFQTFNU-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2,2-dichloro-, hexyl ester (CAS 68144-75-2), with molecular formula C9H16Cl2O2 and molecular weight 226.05 g/mol. IUPAC: hexyl 2,2-dichloropropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dichloro-, hexyl ester
Property Insights of Propanoic acid, 2,2-dichloro-, hexyl ester
The XLogP value of 4.0 indicates that Propanoic acid, 2,2-dichloro-, hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2,2-dichloro-, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dichloro-, hexyl ester 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 Propanoic acid, 2,2-dichloro-, hexyl ester?
The CAS number of Propanoic acid, 2,2-dichloro-, hexyl ester is 68144-75-2.
What is the molecular formula of Propanoic acid, 2,2-dichloro-, hexyl ester?
The molecular formula of Propanoic acid, 2,2-dichloro-, hexyl ester is C9H16Cl2O2.
What is the molecular weight of Propanoic acid, 2,2-dichloro-, hexyl ester?
The molecular weight of Propanoic acid, 2,2-dichloro-, hexyl ester is 226.05 g/mol.
Where can I buy Propanoic acid, 2,2-dichloro-, hexyl ester?
You can request a quote for Propanoic acid, 2,2-dichloro-, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dichloro-, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dichloro-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.