1-Methyl-1-iodotetrachlorocyclotriphosphazene
TL;DR: 1-Methyl-1-iodotetrachlorocyclotriphosphazene (CAS 77589-31-2) is a chemical compound with molecular formula CH3Cl4IN3P3 and molecular weight 416.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4,4-tetrachloro-6-iodo-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
Also Known As: 1-Methyl-1-iodotetrachlorocyclotriphosphazene, 2,2,4,4-tetrachloro-6-iodo-6-methyl-1,3,5-triaza-2, 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4-tetrachloro-2,2,4,4,6,6-hexahydro-6-iodo-6-methyl-, 2-Methyl-2-iodo-4,4,6,6-tetrachloro-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
| Molecular Formula | CH3Cl4IN3P3 |
|---|---|
| Molecular Weight | 416.73 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 37.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 416.73386 |
| Heavy Atoms | 12 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 77589-31-2 |
|---|---|
| SMILES | CP1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)I |
| InChIKey | HASQDUIUJRRKRD-UHFFFAOYSA-N |
Product Overview
1-Methyl-1-iodotetrachlorocyclotriphosphazene (CAS 77589-31-2), with molecular formula CH3Cl4IN3P3 and molecular weight 416.73 g/mol. IUPAC: 2,2,4,4-tetrachloro-6-iodo-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
Chemical Property Profile of 1-Methyl-1-iodotetrachlorocyclotriphosphazene
Property Insights of 1-Methyl-1-iodotetrachlorocyclotriphosphazene
The XLogP value of 4.6 indicates that 1-Methyl-1-iodotetrachlorocyclotriphosphazene 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-Methyl-1-iodotetrachlorocyclotriphosphazene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-iodotetrachlorocyclotriphosphazene has 0 hydrogen bond donor(s) and 3 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-Methyl-1-iodotetrachlorocyclotriphosphazene?
The CAS number of 1-Methyl-1-iodotetrachlorocyclotriphosphazene is 77589-31-2.
What is the molecular formula of 1-Methyl-1-iodotetrachlorocyclotriphosphazene?
The molecular formula of 1-Methyl-1-iodotetrachlorocyclotriphosphazene is CH3Cl4IN3P3.
What is the molecular weight of 1-Methyl-1-iodotetrachlorocyclotriphosphazene?
The molecular weight of 1-Methyl-1-iodotetrachlorocyclotriphosphazene is 416.73 g/mol.
Where can I buy 1-Methyl-1-iodotetrachlorocyclotriphosphazene?
You can request a quote for 1-Methyl-1-iodotetrachlorocyclotriphosphazene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1-iodotetrachlorocyclotriphosphazene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-iodotetrachlorocyclotriphosphazene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.