Bromocubane
TL;DR: Bromocubane (CAS 59346-69-9) is a chemical compound with molecular formula C8H7Br and molecular weight 181.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromocubane
Also Known As: Bromocubane, 1-bromocubane, Pentacyclo[4.2.0.02,5.03,8.04,7]octane,bromo-, RefChem:330289, InChI=1/C8H7Br/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7
| Molecular Formula | C8H7Br |
|---|---|
| Molecular Weight | 181.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.97311 |
| Heavy Atoms | 9 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 59346-69-9 |
|---|---|
| SMILES | C12C3C4C1C5C2C3C45Br |
| InChIKey | GCQYIRWYCIIVNE-UHFFFAOYSA-N |
Product Overview
Bromocubane (CAS 59346-69-9), with molecular formula C8H7Br and molecular weight 181.97 g/mol. IUPAC: 1-bromocubane.
Chemical Property Profile of Bromocubane
Property Insights of Bromocubane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromocubane. With a topological polar surface area (TPSA) of 0.0 Ų, Bromocubane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromocubane has 0 hydrogen bond donor(s) and 0 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 Bromocubane?
The CAS number of Bromocubane is 59346-69-9.
What is the molecular formula of Bromocubane?
The molecular formula of Bromocubane is C8H7Br.
What is the molecular weight of Bromocubane?
The molecular weight of Bromocubane is 181.97 g/mol.
Where can I buy Bromocubane?
You can request a quote for Bromocubane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromocubane?
Yes, KEHONG BIO provides custom synthesis services for Bromocubane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.