1-Bromohomoadamantane
TL;DR: 1-Bromohomoadamantane (CAS 21898-96-4) 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-bromotricyclo[4.3.1.13,8]undecane
Also Known As: 1-Bromohomoadamantane, 1-Bromotricyclo[4.3.1.13,8]undecane, 1-Bromotricyclo[4.3.1.1~3,8~]undecane, Tricyclo[4.3.1.1(3,8)]undecane, 1-bromo-, Tricyclo(4.3.1.1(3,8))undecane, 1-bromo-
| Molecular Formula | C11H17Br |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 4.2 |
| 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 | 183.0 |
Chemical Identifiers
| CAS Number | 21898-96-4 |
|---|---|
| SMILES | C1CC2CC3CC1CC(C2)(C3)Br |
| InChIKey | LGQZCLYHSQSWFM-UHFFFAOYSA-N |
Product Overview
1-Bromohomoadamantane (CAS 21898-96-4), with molecular formula C11H17Br and molecular weight 228.05 g/mol. IUPAC: 1-bromotricyclo[4.3.1.13,8]undecane.
Chemical Property Profile of 1-Bromohomoadamantane
Property Insights of 1-Bromohomoadamantane
The XLogP value of 4.2 indicates that 1-Bromohomoadamantane 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-Bromohomoadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromohomoadamantane 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-Bromohomoadamantane?
The CAS number of 1-Bromohomoadamantane is 21898-96-4.
What is the molecular formula of 1-Bromohomoadamantane?
The molecular formula of 1-Bromohomoadamantane is C11H17Br.
What is the molecular weight of 1-Bromohomoadamantane?
The molecular weight of 1-Bromohomoadamantane is 228.05 g/mol.
Where can I buy 1-Bromohomoadamantane?
You can request a quote for 1-Bromohomoadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromohomoadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromohomoadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.