Adamantane, 1-acetyl-3-chloro-
TL;DR: Adamantane, 1-acetyl-3-chloro- (CAS 143467-20-3) is a chemical compound with molecular formula C12H17ClO and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-1-adamantyl)ethanone
Also Known As: 1-acetyl-3-chloroadamantane, Adamantane, 1-acetyl-3-chloro-, 1-(3-Chloro-1-adamantyl)ethanone, 3-chloro-1-adamantyl methyl ketone, 1-(3-Chloro-1-adamantyl)ethanone #
| Molecular Formula | C12H17ClO |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.09679 |
| Heavy Atoms | 14 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 143467-20-3 |
|---|---|
| SMILES | CC(=O)C12CC3CC(C1)CC(C3)(C2)Cl |
| InChIKey | BKDHIISBVHNZLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adamantane, 1-acetyl-3-chloro- (CAS 143467-20-3), with molecular formula C12H17ClO and molecular weight 212.10 g/mol. IUPAC: 1-(3-chloro-1-adamantyl)ethanone.
Chemical Property Profile of Adamantane, 1-acetyl-3-chloro-
Property Insights of Adamantane, 1-acetyl-3-chloro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adamantane, 1-acetyl-3-chloro-. With a topological polar surface area (TPSA) of 17.1 Ų, Adamantane, 1-acetyl-3-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantane, 1-acetyl-3-chloro- 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 Adamantane, 1-acetyl-3-chloro-?
The CAS number of Adamantane, 1-acetyl-3-chloro- is 143467-20-3.
What is the molecular formula of Adamantane, 1-acetyl-3-chloro-?
The molecular formula of Adamantane, 1-acetyl-3-chloro- is C12H17ClO.
What is the molecular weight of Adamantane, 1-acetyl-3-chloro-?
The molecular weight of Adamantane, 1-acetyl-3-chloro- is 212.10 g/mol.
Where can I buy Adamantane, 1-acetyl-3-chloro-?
You can request a quote for Adamantane, 1-acetyl-3-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantane, 1-acetyl-3-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Adamantane, 1-acetyl-3-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.