5-Chloro-2-adamantanone
TL;DR: 5-Chloro-2-adamantanone (CAS 20098-17-3) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloroadamantan-2-one
Also Known As: 5-Chloro-2-adamantanone, 5-chloroadamantan-2-one, 5-chloro-2-adamantone, Adamantan-4-one, 1-chloro, 5-chloro-2 adamantanone
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 20098-17-3 |
|---|---|
| SMILES | C1C2CC3CC(C2)(CC1C3=O)Cl |
| InChIKey | JPEOUSFBWXVGFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-adamantanone (CAS 20098-17-3), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: 5-chloroadamantan-2-one.
Chemical Property Profile of 5-Chloro-2-adamantanone
Property Insights of 5-Chloro-2-adamantanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-adamantanone. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Chloro-2-adamantanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-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 5-Chloro-2-adamantanone?
The CAS number of 5-Chloro-2-adamantanone is 20098-17-3.
What is the molecular formula of 5-Chloro-2-adamantanone?
The molecular formula of 5-Chloro-2-adamantanone is C10H13ClO.
What is the molecular weight of 5-Chloro-2-adamantanone?
The molecular weight of 5-Chloro-2-adamantanone is 184.07 g/mol.
Where can I buy 5-Chloro-2-adamantanone?
You can request a quote for 5-Chloro-2-adamantanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-adamantanone?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-adamantanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.