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Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone
TL;DR: Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone (CAS 5122-82-7) is a chemical compound with molecular formula C12H17BrO and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2-bromoethanone
Also Known As: 1-Adamantyl bromomethyl ketone, 1-(adamantan-1-yl)-2-bromoethanone, 1-(Bromoacetyl)adamantane, 1-(1-Adamantyl)-2-bromoethanone, Bromomethyl adamantyl ketone
| Molecular Formula | C12H17BrO |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0463 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 5122-82-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)CBr |
| InChIKey | KWCDIRFSULAMOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone (CAS 5122-82-7), with molecular formula C12H17BrO and molecular weight 256.05 g/mol. IUPAC: 1-(1-adamantyl)-2-bromoethanone.
Chemical Property Profile of Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone
Property Insights of Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone
The XLogP value of 3.3 indicates that Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone 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 Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone?
The CAS number of Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone is 5122-82-7.
What is the molecular formula of Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone?
The molecular formula of Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone is C12H17BrO.
What is the molecular weight of Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone?
The molecular weight of Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone is 256.05 g/mol.
Where can I buy Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone?
You can request a quote for Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone?
Yes, KEHONG BIO provides custom synthesis services for Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.