1-Bromo-3,5,7-trimethyladamantane
TL;DR: 1-Bromo-3,5,7-trimethyladamantane (CAS 53398-55-3) is a chemical compound with molecular formula C13H21Br and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,5,7-trimethyladamantane
Also Known As: 1-bromo-3,5,7-trimethyladamantane, Adamantane Impurity 1, Maybridge1_004115, Adamantane Impurity 17, 1-Bromo-3,5,7-Trimethyl Adamantane
| Molecular Formula | C13H21Br |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.08267 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 53398-55-3 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)Br)C)C |
| InChIKey | DUNJTZWVWZSEKK-UHFFFAOYSA-N |
Product Overview
1-Bromo-3,5,7-trimethyladamantane (CAS 53398-55-3), with molecular formula C13H21Br and molecular weight 256.08 g/mol. IUPAC: 1-bromo-3,5,7-trimethyladamantane.
Chemical Property Profile of 1-Bromo-3,5,7-trimethyladamantane
Property Insights of 1-Bromo-3,5,7-trimethyladamantane
The XLogP value of 5.7 indicates that 1-Bromo-3,5,7-trimethyladamantane 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-3,5,7-trimethyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3,5,7-trimethyladamantane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Bromo-3,5,7-trimethyladamantane?
The CAS number of 1-Bromo-3,5,7-trimethyladamantane is 53398-55-3.
What is the molecular formula of 1-Bromo-3,5,7-trimethyladamantane?
The molecular formula of 1-Bromo-3,5,7-trimethyladamantane is C13H21Br.
What is the molecular weight of 1-Bromo-3,5,7-trimethyladamantane?
The molecular weight of 1-Bromo-3,5,7-trimethyladamantane is 256.08 g/mol.
Where can I buy 1-Bromo-3,5,7-trimethyladamantane?
You can request a quote for 1-Bromo-3,5,7-trimethyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3,5,7-trimethyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3,5,7-trimethyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.