1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine
TL;DR: 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine (CAS 77589-29-8) is a chemical compound with molecular formula C4H9BrCl4N3P3 and molecular weight 410.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-tert-butyl-4,4,6,6-tetrachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
Also Known As: 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine, 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazene, 2-bromo-2-tert-butyl-4,4,6,6-tetrachloro-1,3,5-triaza-2, 1,3,5,2,4,6-Triazatriphosphorine, 2-bromo-4,4,6,6-tetrachloro-2-(1,1-dimethylethyl)-2,2,4,4,6,6-hexahydro-, 2-(tert-Butyl)-2-bromo-4,4,6,6-tetrachloro-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
| Molecular Formula | C4H9BrCl4N3P3 |
|---|---|
| Molecular Weight | 410.79 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 37.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 410.79468 |
| Heavy Atoms | 15 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 77589-29-8 |
|---|---|
| SMILES | CC(C)(C)P1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)Br |
| InChIKey | SQLGAZZBJQLLBU-UHFFFAOYSA-N |
Product Overview
1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine (CAS 77589-29-8), with molecular formula C4H9BrCl4N3P3 and molecular weight 410.79 g/mol. IUPAC: 2-bromo-2-tert-butyl-4,4,6,6-tetrachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
Chemical Property Profile of 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine
Property Insights of 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine
The XLogP value of 5.7 indicates that 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.1 Ų, 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine?
The CAS number of 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine is 77589-29-8.
What is the molecular formula of 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine?
The molecular formula of 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine is C4H9BrCl4N3P3.
What is the molecular weight of 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine?
The molecular weight of 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine is 410.79 g/mol.
Where can I buy 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine?
You can request a quote for 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-1-bromotetrachlorocyclotriphosphazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.