Perhydro-9b-boraphenalene
TL;DR: Perhydro-9b-boraphenalene (CAS 16664-33-8) is a chemical compound with molecular formula C12H21B and molecular weight 176.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-boratricyclo[7.3.1.05,13]tridecane
Also Known As: Zentrobor,I, Perhydro-9b-boraphenalene, Dodecahydro-9b-boraphenalene, 9b-Boraphenalene, dodecahydro-, Dodecahydro-9b-boraphenalene #
| Molecular Formula | C12H21B |
|---|---|
| Molecular Weight | 176.17 g/mol |
| LogP | 4.1435 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.17363 |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 16664-33-8 |
|---|---|
| SMILES | B12C3CCCC1CCCC2CCC3 |
| InChIKey | SKOKKTJRHJQZHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Perhydro-9b-boraphenalene (CAS 16664-33-8), with molecular formula C12H21B and molecular weight 176.17 g/mol. IUPAC: 13-boratricyclo[7.3.1.05,13]tridecane.
Chemical Property Profile of Perhydro-9b-boraphenalene
Property Insights of Perhydro-9b-boraphenalene
The XLogP value of 4.1435 indicates that Perhydro-9b-boraphenalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Perhydro-9b-boraphenalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perhydro-9b-boraphenalene 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 Perhydro-9b-boraphenalene?
The CAS number of Perhydro-9b-boraphenalene is 16664-33-8.
What is the molecular formula of Perhydro-9b-boraphenalene?
The molecular formula of Perhydro-9b-boraphenalene is C12H21B.
What is the molecular weight of Perhydro-9b-boraphenalene?
The molecular weight of Perhydro-9b-boraphenalene is 176.17 g/mol.
Where can I buy Perhydro-9b-boraphenalene?
You can request a quote for Perhydro-9b-boraphenalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perhydro-9b-boraphenalene?
Yes, KEHONG BIO provides custom synthesis services for Perhydro-9b-boraphenalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.