1-(Adamantan-1-yl)-2,2-dibromoethanone
TL;DR: 1-(Adamantan-1-yl)-2,2-dibromoethanone (CAS 26525-25-7) is a chemical compound with molecular formula C12H16Br2O and molecular weight 333.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2,2-dibromoethanone
Also Known As: 1-(1-adamantyl)-2,2-dibromoethanone, 1-(adamantan-1-yl)-2,2-dibromoethanone, 1-Dibromoacetyladamantane, 1-adamantyl dibromomethyl ketone, 8777AD
| Molecular Formula | C12H16Br2O |
|---|---|
| Molecular Weight | 333.96 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.9568 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 26525-25-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)C(Br)Br |
| InChIKey | XDJXVMSXFQUDGZ-UHFFFAOYSA-N |
Product Overview
1-(Adamantan-1-yl)-2,2-dibromoethanone (CAS 26525-25-7), with molecular formula C12H16Br2O and molecular weight 333.96 g/mol. IUPAC: 1-(1-adamantyl)-2,2-dibromoethanone.
Chemical Property Profile of 1-(Adamantan-1-yl)-2,2-dibromoethanone
Property Insights of 1-(Adamantan-1-yl)-2,2-dibromoethanone
The XLogP value of 4.2 indicates that 1-(Adamantan-1-yl)-2,2-dibromoethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(Adamantan-1-yl)-2,2-dibromoethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Adamantan-1-yl)-2,2-dibromoethanone 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-(Adamantan-1-yl)-2,2-dibromoethanone?
The CAS number of 1-(Adamantan-1-yl)-2,2-dibromoethanone is 26525-25-7.
What is the molecular formula of 1-(Adamantan-1-yl)-2,2-dibromoethanone?
The molecular formula of 1-(Adamantan-1-yl)-2,2-dibromoethanone is C12H16Br2O.
What is the molecular weight of 1-(Adamantan-1-yl)-2,2-dibromoethanone?
The molecular weight of 1-(Adamantan-1-yl)-2,2-dibromoethanone is 333.96 g/mol.
Where can I buy 1-(Adamantan-1-yl)-2,2-dibromoethanone?
You can request a quote for 1-(Adamantan-1-yl)-2,2-dibromoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Adamantan-1-yl)-2,2-dibromoethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Adamantan-1-yl)-2,2-dibromoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.