3,3-Dichloropiperidin-2-one
TL;DR: 3,3-Dichloropiperidin-2-one (CAS 41419-12-9) is a chemical compound with molecular formula C5H7Cl2NO and molecular weight 166.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloropiperidin-2-one
Also Known As: 3,3-dichloropiperidin-2-one, 3,3-dichloro-2-piperidinone, 3,3-dichloropiperidinone, 3,3-Dichloro-piperidin-2-one, 2-Piperidinone, 3,3-dichloro-
| Molecular Formula | C5H7Cl2NO |
|---|---|
| Molecular Weight | 166.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.99046 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 41419-12-9 |
|---|---|
| SMILES | C1CC(C(=O)NC1)(Cl)Cl |
| InChIKey | RDVZKTUYZCMKJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dichloropiperidin-2-one (CAS 41419-12-9), with molecular formula C5H7Cl2NO and molecular weight 166.99 g/mol. IUPAC: 3,3-dichloropiperidin-2-one.
Chemical Property Profile of 3,3-Dichloropiperidin-2-one
Property Insights of 3,3-Dichloropiperidin-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dichloropiperidin-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3,3-Dichloropiperidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichloropiperidin-2-one has 1 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 3,3-Dichloropiperidin-2-one?
The CAS number of 3,3-Dichloropiperidin-2-one is 41419-12-9.
What is the molecular formula of 3,3-Dichloropiperidin-2-one?
The molecular formula of 3,3-Dichloropiperidin-2-one is C5H7Cl2NO.
What is the molecular weight of 3,3-Dichloropiperidin-2-one?
The molecular weight of 3,3-Dichloropiperidin-2-one is 166.99 g/mol.
Where can I buy 3,3-Dichloropiperidin-2-one?
You can request a quote for 3,3-Dichloropiperidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dichloropiperidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dichloropiperidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.