Pentaaziridinocyclodiphosphathiazene
TL;DR: Pentaaziridinocyclodiphosphathiazene (CAS 77680-87-6) is a chemical compound with molecular formula C10H20N8OP2S and molecular weight 362.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3,5,5-pentakis(aziridin-1-yl)-1λ6-thia-2,4,6-triaza-3λ5,5λ5-diphosphacyclohexa-1,3,5-triene 1-oxide
Also Known As: SOAz, Pentazirinocyclodiphosphathiazene, pentaaziridinocyclodiphosphathiazene, pentazirino-cyclo-diphosphathiazene, Aziridinocyclodiphosphathiazene
| Molecular Formula | C10H20N8OP2S |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.0956 |
| Heavy Atoms | 22 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 77680-87-6 |
|---|---|
| SMILES | C1CN1P2(=NP(=NS(=N2)(=O)N3CC3)(N4CC4)N5CC5)N6CC6 |
| InChIKey | IQMLWPPOVFMTOU-UHFFFAOYSA-N |
Product Overview
Pentaaziridinocyclodiphosphathiazene (CAS 77680-87-6), with molecular formula C10H20N8OP2S and molecular weight 362.10 g/mol. IUPAC: 1,3,3,5,5-pentakis(aziridin-1-yl)-1λ6-thia-2,4,6-triaza-3λ5,5λ5-diphosphacyclohexa-1,3,5-triene 1-oxide.
Chemical Property Profile of Pentaaziridinocyclodiphosphathiazene
Property Insights of Pentaaziridinocyclodiphosphathiazene
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentaaziridinocyclodiphosphathiazene. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaaziridinocyclodiphosphathiazene. Following Lipinski's Rule of Five, Pentaaziridinocyclodiphosphathiazene has 0 hydrogen bond donor(s) and 9 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 Pentaaziridinocyclodiphosphathiazene?
The CAS number of Pentaaziridinocyclodiphosphathiazene is 77680-87-6.
What is the molecular formula of Pentaaziridinocyclodiphosphathiazene?
The molecular formula of Pentaaziridinocyclodiphosphathiazene is C10H20N8OP2S.
What is the molecular weight of Pentaaziridinocyclodiphosphathiazene?
The molecular weight of Pentaaziridinocyclodiphosphathiazene is 362.10 g/mol.
Where can I buy Pentaaziridinocyclodiphosphathiazene?
You can request a quote for Pentaaziridinocyclodiphosphathiazene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaaziridinocyclodiphosphathiazene?
Yes, KEHONG BIO provides custom synthesis services for Pentaaziridinocyclodiphosphathiazene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.