2-Bromocyclododecanone
TL;DR: 2-Bromocyclododecanone (CAS 31236-94-9) is a chemical compound with molecular formula C12H21BrO and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromocyclododecan-1-one
Also Known As: 2-Bromocyclododecanone, 2-bromocyclododecan-1-one, alpha-Bromocyclododecanone, Cyclododecanone,2-bromo-, CYCLODODECANONE, 2-BROMO-
| Molecular Formula | C12H21BrO |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.07758 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 31236-94-9 |
|---|---|
| SMILES | C1CCCCCC(=O)C(CCCC1)Br |
| InChIKey | YGXQOFXPYXFZFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromocyclododecanone (CAS 31236-94-9), with molecular formula C12H21BrO and molecular weight 260.08 g/mol. IUPAC: 2-bromocyclododecan-1-one.
Chemical Property Profile of 2-Bromocyclododecanone
Property Insights of 2-Bromocyclododecanone
The XLogP value of 4.9 indicates that 2-Bromocyclododecanone 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-Bromocyclododecanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromocyclododecanone 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-Bromocyclododecanone?
The CAS number of 2-Bromocyclododecanone is 31236-94-9.
What is the molecular formula of 2-Bromocyclododecanone?
The molecular formula of 2-Bromocyclododecanone is C12H21BrO.
What is the molecular weight of 2-Bromocyclododecanone?
The molecular weight of 2-Bromocyclododecanone is 260.08 g/mol.
Where can I buy 2-Bromocyclododecanone?
You can request a quote for 2-Bromocyclododecanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromocyclododecanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromocyclododecanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.