2-Bromo-2-nitroadamantane
TL;DR: 2-Bromo-2-nitroadamantane (CAS 40854-02-2) is a chemical compound with molecular formula C10H14BrNO2 and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-nitroadamantane
Also Known As: 2-bromo-2-nitroadamantane, 2-bromo-2-nitro-adamantane, 2-bromo-2-nitrotricyclo[3.3.1.13,7]decane, 2-bromo-2-nitrotricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C10H14BrNO2 |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 2.8104 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.02078 |
| Heavy Atoms | 14 |
| Complexity | 263.8466 |
Chemical Identifiers
| CAS Number | 40854-02-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3([N+](=O)[O-])Br |
Product Overview
2-Bromo-2-nitroadamantane (CAS 40854-02-2), with molecular formula C10H14BrNO2 and molecular weight 259.02 g/mol. IUPAC: 2-bromo-2-nitroadamantane.
Chemical Property Profile of 2-Bromo-2-nitroadamantane
Property Insights of 2-Bromo-2-nitroadamantane
The XLogP value of 2.8104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-2-nitroadamantane. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Bromo-2-nitroadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2-nitroadamantane has 0 hydrogen bond donor(s) and 2 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-Bromo-2-nitroadamantane?
The CAS number of 2-Bromo-2-nitroadamantane is 40854-02-2.
What is the molecular formula of 2-Bromo-2-nitroadamantane?
The molecular formula of 2-Bromo-2-nitroadamantane is C10H14BrNO2.
What is the molecular weight of 2-Bromo-2-nitroadamantane?
The molecular weight of 2-Bromo-2-nitroadamantane is 259.02 g/mol.
Where can I buy 2-Bromo-2-nitroadamantane?
You can request a quote for 2-Bromo-2-nitroadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2-nitroadamantane?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-nitroadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.