1-Adamantyl 2-chloroacetate
TL;DR: 1-Adamantyl 2-chloroacetate (CAS 66856-39-1) is a chemical compound with molecular formula C12H17ClO2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl 2-chloroacetate
Also Known As: 1-adamantyl 2-chloroacetate, adamantyl chloroacetate, 1adamantyl chloracetate, Adamantan-1-yl chloroacetate, 1-adamantyl chloracetate
| Molecular Formula | C12H17ClO2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.0917 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 66856-39-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)OC(=O)CCl |
| InChIKey | FDQLHIURACSAPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Adamantyl 2-chloroacetate (CAS 66856-39-1), with molecular formula C12H17ClO2 and molecular weight 228.09 g/mol. IUPAC: 1-adamantyl 2-chloroacetate.
Chemical Property Profile of 1-Adamantyl 2-chloroacetate
Property Insights of 1-Adamantyl 2-chloroacetate
The XLogP value of 3.4 indicates that 1-Adamantyl 2-chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Adamantyl 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Adamantyl 2-chloroacetate 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 1-Adamantyl 2-chloroacetate?
The CAS number of 1-Adamantyl 2-chloroacetate is 66856-39-1.
What is the molecular formula of 1-Adamantyl 2-chloroacetate?
The molecular formula of 1-Adamantyl 2-chloroacetate is C12H17ClO2.
What is the molecular weight of 1-Adamantyl 2-chloroacetate?
The molecular weight of 1-Adamantyl 2-chloroacetate is 228.09 g/mol.
Where can I buy 1-Adamantyl 2-chloroacetate?
You can request a quote for 1-Adamantyl 2-chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantyl 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantyl 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.