rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane
TL;DR: rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane (CAS 22412-91-5) is a chemical compound with molecular formula C8H12Br4 and molecular weight 423.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5S,6S)-1,2,5,6-tetrabromocyclooctane
Also Known As: 2-Nitrotyrosine methyl ester, (1R,2R,5S,6S)-1,2,5,6-tetrabromocyclooctane, J2.701.681B, rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane
| Molecular Formula | C8H12Br4 |
|---|---|
| Molecular Weight | 423.77 g/mol |
| LogP | 4.6144 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 423.76724 |
| Heavy Atoms | 12 |
| Complexity | 107.01955 |
Chemical Identifiers
| CAS Number | 22412-91-5 |
|---|---|
| SMILES | C1C[C@@H]([C@H](CC[C@H]([C@@H]1Br)Br)Br)Br |
Product Overview
rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane (CAS 22412-91-5), with molecular formula C8H12Br4 and molecular weight 423.77 g/mol. IUPAC: (1R,2R,5S,6S)-1,2,5,6-tetrabromocyclooctane.
Chemical Property Profile of rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane
Property Insights of rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane
The XLogP value of 4.6144 indicates that rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane 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 rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane?
The CAS number of rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane is 22412-91-5.
What is the molecular formula of rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane?
The molecular formula of rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane is C8H12Br4.
What is the molecular weight of rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane?
The molecular weight of rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane is 423.77 g/mol.
Where can I buy rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane?
You can request a quote for rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,2R,5S,6S)-1,2,5,6-Tetrabromocyclooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.