1-(1-Adamantyl)-2,2-dichloroethanone
TL;DR: 1-(1-Adamantyl)-2,2-dichloroethanone (CAS 111079-75-5) is a chemical compound with molecular formula C12H16Cl2O and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2,2-dichloroethanone
Also Known As: 1-(1-adamantyl)-2,2-dichloroethanone, 1-adamantyl dichloromethyl ketone, 1-Adamantan-1-yl-2,2-dichloro-ethanone, BAS 00134441, J3.621.671I
| Molecular Formula | C12H16Cl2O |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 3.5756 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.05782 |
| Heavy Atoms | 15 |
| Complexity | 262.71304 |
Chemical Identifiers
| CAS Number | 111079-75-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)C(Cl)Cl |
Product Overview
1-(1-Adamantyl)-2,2-dichloroethanone (CAS 111079-75-5), with molecular formula C12H16Cl2O and molecular weight 246.06 g/mol. IUPAC: 1-(1-adamantyl)-2,2-dichloroethanone.
Chemical Property Profile of 1-(1-Adamantyl)-2,2-dichloroethanone
Property Insights of 1-(1-Adamantyl)-2,2-dichloroethanone
The XLogP value of 3.5756 indicates that 1-(1-Adamantyl)-2,2-dichloroethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(1-Adamantyl)-2,2-dichloroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-2,2-dichloroethanone has 0 hydrogen bond donor(s) and 1 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-(1-Adamantyl)-2,2-dichloroethanone?
The CAS number of 1-(1-Adamantyl)-2,2-dichloroethanone is 111079-75-5.
What is the molecular formula of 1-(1-Adamantyl)-2,2-dichloroethanone?
The molecular formula of 1-(1-Adamantyl)-2,2-dichloroethanone is C12H16Cl2O.
What is the molecular weight of 1-(1-Adamantyl)-2,2-dichloroethanone?
The molecular weight of 1-(1-Adamantyl)-2,2-dichloroethanone is 246.06 g/mol.
Where can I buy 1-(1-Adamantyl)-2,2-dichloroethanone?
You can request a quote for 1-(1-Adamantyl)-2,2-dichloroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Adamantyl)-2,2-dichloroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantyl)-2,2-dichloroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.