1-Bromo-3-methyladamantane
TL;DR: 1-Bromo-3-methyladamantane (CAS 702-77-2) is a chemical compound with molecular formula C11H17Br and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-methyladamantane
Also Known As: 1-bromo-3-methyladamantane, 1-bromo-3-methyl-adamantane, Amantadine Impurity 2, Memantine Impurity 34, Adamantane Impurity 19
| Molecular Formula | C11H17Br |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.05136 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 702-77-2 |
|---|---|
| SMILES | CC12CC3CC(C1)CC(C3)(C2)Br |
| InChIKey | MXAYGTASSPYUJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-3-methyladamantane (CAS 702-77-2), with molecular formula C11H17Br and molecular weight 228.05 g/mol. IUPAC: 1-bromo-3-methyladamantane.
Chemical Property Profile of 1-Bromo-3-methyladamantane
Property Insights of 1-Bromo-3-methyladamantane
The XLogP value of 4.7 indicates that 1-Bromo-3-methyladamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-3-methyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-methyladamantane 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 1-Bromo-3-methyladamantane?
The CAS number of 1-Bromo-3-methyladamantane is 702-77-2.
What is the molecular formula of 1-Bromo-3-methyladamantane?
The molecular formula of 1-Bromo-3-methyladamantane is C11H17Br.
What is the molecular weight of 1-Bromo-3-methyladamantane?
The molecular weight of 1-Bromo-3-methyladamantane is 228.05 g/mol.
Where can I buy 1-Bromo-3-methyladamantane?
You can request a quote for 1-Bromo-3-methyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3-methyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-methyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.