1,3-Dibromo-5,7-dimethyladamantane
TL;DR: 1,3-Dibromo-5,7-dimethyladamantane (CAS 21912-23-2) is a chemical compound with molecular formula C12H18Br2 and molecular weight 319.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibromo-5,7-dimethyladamantane
Also Known As: 1,3-dibromo-5,7-dimethyladamantane, Adamantane Impurity 21, 5,7-Dimethyl-1,3-dibromoadamantane, 1,3-dimethyl-5,7-dibromoadamantane, 3,5-Dimethyl-1,7-dibromoadamantane
| Molecular Formula | C12H18Br2 |
|---|---|
| Molecular Weight | 319.98 g/mol |
| LogP | 4.6478 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 319.97754 |
| Heavy Atoms | 14 |
| Complexity | 201.14798 |
Chemical Identifiers
| CAS Number | 21912-23-2 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)Br)Br)C |
Product Overview
1,3-Dibromo-5,7-dimethyladamantane (CAS 21912-23-2), with molecular formula C12H18Br2 and molecular weight 319.98 g/mol. IUPAC: 1,3-dibromo-5,7-dimethyladamantane.
Chemical Property Profile of 1,3-Dibromo-5,7-dimethyladamantane
Property Insights of 1,3-Dibromo-5,7-dimethyladamantane
The XLogP value of 4.6478 indicates that 1,3-Dibromo-5,7-dimethyladamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dibromo-5,7-dimethyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibromo-5,7-dimethyladamantane 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 1,3-Dibromo-5,7-dimethyladamantane?
The CAS number of 1,3-Dibromo-5,7-dimethyladamantane is 21912-23-2.
What is the molecular formula of 1,3-Dibromo-5,7-dimethyladamantane?
The molecular formula of 1,3-Dibromo-5,7-dimethyladamantane is C12H18Br2.
What is the molecular weight of 1,3-Dibromo-5,7-dimethyladamantane?
The molecular weight of 1,3-Dibromo-5,7-dimethyladamantane is 319.98 g/mol.
Where can I buy 1,3-Dibromo-5,7-dimethyladamantane?
You can request a quote for 1,3-Dibromo-5,7-dimethyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dibromo-5,7-dimethyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibromo-5,7-dimethyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.