4-Bromo-2-adamantanone
TL;DR: 4-Bromo-2-adamantanone (CAS 19213-98-0) is a chemical compound with molecular formula C10H13BrO and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromoadamantan-2-one
Also Known As: 4-bromoadamantan-2-one, 4-Bromo-2-adamantanone, 4-Bromo-2-adamantanone #, Tricyclo[3.3.1.1(3,7)]decanone, 4-bromo-, Tricyclo(3.3.1.1(3,7))decanone, 4-bromo-
| Molecular Formula | C10H13BrO |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.01498 |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 19213-98-0 |
|---|---|
| SMILES | C1C2CC3CC1C(C(C2)C3=O)Br |
| InChIKey | FTYOJSPBIJRJOB-UHFFFAOYSA-N |
Product Overview
4-Bromo-2-adamantanone (CAS 19213-98-0), with molecular formula C10H13BrO and molecular weight 228.01 g/mol. IUPAC: 4-bromoadamantan-2-one.
Chemical Property Profile of 4-Bromo-2-adamantanone
Property Insights of 4-Bromo-2-adamantanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-adamantanone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Bromo-2-adamantanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-adamantanone 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 4-Bromo-2-adamantanone?
The CAS number of 4-Bromo-2-adamantanone is 19213-98-0.
What is the molecular formula of 4-Bromo-2-adamantanone?
The molecular formula of 4-Bromo-2-adamantanone is C10H13BrO.
What is the molecular weight of 4-Bromo-2-adamantanone?
The molecular weight of 4-Bromo-2-adamantanone is 228.01 g/mol.
Where can I buy 4-Bromo-2-adamantanone?
You can request a quote for 4-Bromo-2-adamantanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-adamantanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-adamantanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.