RefChem:217104
TL;DR: RefChem:217104 (CAS 3776-17-8) is a chemical compound with molecular formula C12H26N9P3 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4,6,6-pentakis(aziridin-1-yl)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine
Also Known As: Hexahydro-6-(dimethylamino)-2,2,4,4,6-pentakis(1-aziridinyl)-1,3,5,2,4,6-triazatriphosphorine, 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-6-(dimethylamino)-2,2,4,4,6-pentakis(1-aziridinyl)-, 2,4,4,6,6-pentakis(aziridin-1-yl)-N,N-dimethyl-1,3,5-triaza-2, 2,2,4,4,6-Pentakis(aziridin-1-yl)-6-dimethylaminocyclotriphosphazene, 6,6-Bis(aziridin-1-yl)-4,4-bis(aziridin-1-yl)-2-(aziridin-1-yl)-N,N-dimethyl-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-amine
| Molecular Formula | C12H26N9P3 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.1524 |
| Heavy Atoms | 24 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 3776-17-8 |
|---|---|
| SMILES | CN(C)P1(=NP(=NP(=N1)(N2CC2)N3CC3)(N4CC4)N5CC5)N6CC6 |
| InChIKey | LAWANPUVRVURFE-UHFFFAOYSA-N |
Product Overview
RefChem:217104 (CAS 3776-17-8), with molecular formula C12H26N9P3 and molecular weight 389.15 g/mol. IUPAC: 2,4,4,6,6-pentakis(aziridin-1-yl)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine.
Chemical Property Profile of RefChem:217104
Property Insights of RefChem:217104
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:217104. With a topological polar surface area (TPSA) of 55.4 Ų, RefChem:217104 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:217104 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 RefChem:217104?
The CAS number of RefChem:217104 is 3776-17-8.
What is the molecular formula of RefChem:217104?
The molecular formula of RefChem:217104 is C12H26N9P3.
What is the molecular weight of RefChem:217104?
The molecular weight of RefChem:217104 is 389.15 g/mol.
Where can I buy RefChem:217104?
You can request a quote for RefChem:217104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217104?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.