2-Bromocyclooctan-1-one
TL;DR: 2-Bromocyclooctan-1-one (CAS 39261-18-2) is a chemical compound with molecular formula C8H13BrO and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromocyclooctan-1-one
Also Known As: 2-bromocyclooctan-1-one, 2-Bromocyclooctanone, 2-Bromcyclooctanon, 2-Bromocyclooctanone #, Cyclooctanone, 2-bromo-
| Molecular Formula | C8H13BrO |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.01498 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 39261-18-2 |
|---|---|
| SMILES | C1CCCC(=O)C(CC1)Br |
| InChIKey | NOOBPZPTDOIEMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromocyclooctan-1-one (CAS 39261-18-2), with molecular formula C8H13BrO and molecular weight 204.01 g/mol. IUPAC: 2-bromocyclooctan-1-one.
Chemical Property Profile of 2-Bromocyclooctan-1-one
Property Insights of 2-Bromocyclooctan-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromocyclooctan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Bromocyclooctan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromocyclooctan-1-one 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-Bromocyclooctan-1-one?
The CAS number of 2-Bromocyclooctan-1-one is 39261-18-2.
What is the molecular formula of 2-Bromocyclooctan-1-one?
The molecular formula of 2-Bromocyclooctan-1-one is C8H13BrO.
What is the molecular weight of 2-Bromocyclooctan-1-one?
The molecular weight of 2-Bromocyclooctan-1-one is 204.01 g/mol.
Where can I buy 2-Bromocyclooctan-1-one?
You can request a quote for 2-Bromocyclooctan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromocyclooctan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromocyclooctan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.