Pentyl 2,3-dichloropropanoate
TL;DR: Pentyl 2,3-dichloropropanoate (CAS 89876-47-1) is a chemical compound with molecular formula C8H14Cl2O2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2,3-dichloropropanoate
Also Known As: Pentyl 2,3-dichloropropanoate, Propanoic acid, 2,3-dichloro-, pentyl ester, Propanoic acid,2,3-dichloro-,pentyl ester, Propanoic acid, 2,3-dichloro, pentyl ester, RefChem:368259
| Molecular Formula | C8H14Cl2O2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.03708 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 89876-47-1 |
|---|---|
| SMILES | CCCCCOC(=O)C(CCl)Cl |
| InChIKey | AGXZEEWUNWRXLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl 2,3-dichloropropanoate (CAS 89876-47-1), with molecular formula C8H14Cl2O2 and molecular weight 212.04 g/mol. IUPAC: pentyl 2,3-dichloropropanoate.
Chemical Property Profile of Pentyl 2,3-dichloropropanoate
Property Insights of Pentyl 2,3-dichloropropanoate
The XLogP value of 3.2 indicates that Pentyl 2,3-dichloropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl 2,3-dichloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 2,3-dichloropropanoate 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 Pentyl 2,3-dichloropropanoate?
The CAS number of Pentyl 2,3-dichloropropanoate is 89876-47-1.
What is the molecular formula of Pentyl 2,3-dichloropropanoate?
The molecular formula of Pentyl 2,3-dichloropropanoate is C8H14Cl2O2.
What is the molecular weight of Pentyl 2,3-dichloropropanoate?
The molecular weight of Pentyl 2,3-dichloropropanoate is 212.04 g/mol.
Where can I buy Pentyl 2,3-dichloropropanoate?
You can request a quote for Pentyl 2,3-dichloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2,3-dichloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2,3-dichloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.