Heptadecyl 2,2-dichloroacetate
TL;DR: Heptadecyl 2,2-dichloroacetate (CAS 959307-47-2) is a chemical compound with molecular formula C19H36Cl2O2 and molecular weight 366.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptadecyl 2,2-dichloroacetate
Also Known As: heptadecyl 2,2-dichloroacetate, Heptadecyl dichloroacetate #, Dichloroacetic acid, heptadecyl ester, RefChem:1086420
| Molecular Formula | C19H36Cl2O2 |
|---|---|
| Molecular Weight | 366.21 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 366.20923 |
| Heavy Atoms | 23 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 959307-47-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCOC(=O)C(Cl)Cl |
| InChIKey | YSPASYBIZCABDF-UHFFFAOYSA-N |
Product Overview
Heptadecyl 2,2-dichloroacetate (CAS 959307-47-2), with molecular formula C19H36Cl2O2 and molecular weight 366.21 g/mol. IUPAC: heptadecyl 2,2-dichloroacetate.
Chemical Property Profile of Heptadecyl 2,2-dichloroacetate
Property Insights of Heptadecyl 2,2-dichloroacetate
The XLogP value of 9.6 indicates that Heptadecyl 2,2-dichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptadecyl 2,2-dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptadecyl 2,2-dichloroacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptadecyl 2,2-dichloroacetate?
The CAS number of Heptadecyl 2,2-dichloroacetate is 959307-47-2.
What is the molecular formula of Heptadecyl 2,2-dichloroacetate?
The molecular formula of Heptadecyl 2,2-dichloroacetate is C19H36Cl2O2.
What is the molecular weight of Heptadecyl 2,2-dichloroacetate?
The molecular weight of Heptadecyl 2,2-dichloroacetate is 366.21 g/mol.
Where can I buy Heptadecyl 2,2-dichloroacetate?
You can request a quote for Heptadecyl 2,2-dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptadecyl 2,2-dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Heptadecyl 2,2-dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.