2-Chlorocyclododecanone
TL;DR: 2-Chlorocyclododecanone (CAS 3614-72-0) is a chemical compound with molecular formula C12H21ClO and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorocyclododecan-1-one
Also Known As: 2-Chlorocyclododecanone, 2-chlorocyclododecan-1-one, a-chlorocyclododecanone, Cyclododecanone, 2-chloro-, 2-Chlorocyclododecanone #
| Molecular Formula | C12H21ClO |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.1281 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 3614-72-0 |
|---|---|
| SMILES | C1CCCCCC(=O)C(CCCC1)Cl |
| InChIKey | VDNDILHUSVTMNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorocyclododecanone (CAS 3614-72-0), with molecular formula C12H21ClO and molecular weight 216.13 g/mol. IUPAC: 2-chlorocyclododecan-1-one.
Chemical Property Profile of 2-Chlorocyclododecanone
Property Insights of 2-Chlorocyclododecanone
The XLogP value of 4.7 indicates that 2-Chlorocyclododecanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chlorocyclododecanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorocyclododecanone 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 2-Chlorocyclododecanone?
The CAS number of 2-Chlorocyclododecanone is 3614-72-0.
What is the molecular formula of 2-Chlorocyclododecanone?
The molecular formula of 2-Chlorocyclododecanone is C12H21ClO.
What is the molecular weight of 2-Chlorocyclododecanone?
The molecular weight of 2-Chlorocyclododecanone is 216.13 g/mol.
Where can I buy 2-Chlorocyclododecanone?
You can request a quote for 2-Chlorocyclododecanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorocyclododecanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorocyclododecanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.