4-Fluoro-2-adamantanone
TL;DR: 4-Fluoro-2-adamantanone (CAS 56781-83-0) is a chemical compound with molecular formula C10H13FO and molecular weight 168.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoroadamantan-2-one
Also Known As: 4-Fluoro-2-adamantanone, 4-fluoroadamantan-2-one, Tricyclo[3.3.1.13,7]decanone, 4-fluoro-, (1.alpha.,3.beta.,4.alpha.,5.alpha.,7.beta.)-
| Molecular Formula | C10H13FO |
|---|---|
| Molecular Weight | 168.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.09505 |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 56781-83-0 |
|---|---|
| SMILES | C1C2CC3CC1C(C(C2)C3=O)F |
| InChIKey | BHILRXZGAUWXBN-UHFFFAOYSA-N |
Product Overview
4-Fluoro-2-adamantanone (CAS 56781-83-0), with molecular formula C10H13FO and molecular weight 168.10 g/mol. IUPAC: 4-fluoroadamantan-2-one.
Chemical Property Profile of 4-Fluoro-2-adamantanone
Property Insights of 4-Fluoro-2-adamantanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-2-adamantanone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Fluoro-2-adamantanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-2-adamantanone has 0 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 4-Fluoro-2-adamantanone?
The CAS number of 4-Fluoro-2-adamantanone is 56781-83-0.
What is the molecular formula of 4-Fluoro-2-adamantanone?
The molecular formula of 4-Fluoro-2-adamantanone is C10H13FO.
What is the molecular weight of 4-Fluoro-2-adamantanone?
The molecular weight of 4-Fluoro-2-adamantanone is 168.10 g/mol.
Where can I buy 4-Fluoro-2-adamantanone?
You can request a quote for 4-Fluoro-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-Fluoro-2-adamantanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2-adamantanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.