1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one
TL;DR: 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one (CAS 73599-91-4) is a chemical compound with molecular formula C12H17BrO2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromo-1-adamantyl)-2-hydroxyethanone
Also Known As: Ethanone, 1-(1-bromo-3-adamantyl)-2-hydroxy-, 1-(3-bromo-1-adamantyl)-2-hydroxyethanone, KETONE, 1-BROMO-3-ADAMANTYL HYDROXYMETHYL, 1-(3-BROMOADAMANTAN-1-YL)-2-HYDROXYETHAN-1-ONE, RefChem:1054136
| Molecular Formula | C12H17BrO2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0412 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 73599-91-4 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)Br)C(=O)CO |
| InChIKey | YWVFMLCVBBEZGP-UHFFFAOYSA-N |
Product Overview
1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one (CAS 73599-91-4), with molecular formula C12H17BrO2 and molecular weight 272.04 g/mol. IUPAC: 1-(3-bromo-1-adamantyl)-2-hydroxyethanone.
Chemical Property Profile of 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one
Property Insights of 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one has 1 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-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one?
The CAS number of 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one is 73599-91-4.
What is the molecular formula of 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one?
The molecular formula of 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one is C12H17BrO2.
What is the molecular weight of 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one?
The molecular weight of 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one is 272.04 g/mol.
Where can I buy 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one?
You can request a quote for 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromoadamantan-1-yl)-2-hydroxyethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.