4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide
TL;DR: 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide (CAS 15199-22-1) is a chemical compound with molecular formula C8H18N3PS and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6,7-tetramethyl-1-sulfanylidene-2,6,7-triaza-1λ5-phosphabicyclo[2.2.2]octane
Also Known As: 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide, 2,4,6,7-tetramethyl-1-sulfanylidene-2,6,7-triaza-1, 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octane-1-sulfide, 2,4,6,7-Tetramethyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octane1-sulfide, {2,4,6,7-tetramethyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octan-1-ium-1-yl}sulfanide
| Molecular Formula | C8H18N3PS |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.0959 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 15199-22-1 |
|---|---|
| SMILES | CC12CN(P(=S)(N(C1)C)N(C2)C)C |
| InChIKey | HSDIYUURMFUSLU-UHFFFAOYSA-N |
Product Overview
4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide (CAS 15199-22-1), with molecular formula C8H18N3PS and molecular weight 219.10 g/mol. IUPAC: 2,4,6,7-tetramethyl-1-sulfanylidene-2,6,7-triaza-1λ5-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide
Property Insights of 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide. With a topological polar surface area (TPSA) of 41.8 Ų, 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide has 0 hydrogen bond donor(s) and 4 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 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide?
The CAS number of 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide is 15199-22-1.
What is the molecular formula of 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide?
The molecular formula of 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide is C8H18N3PS.
What is the molecular weight of 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide?
The molecular weight of 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide is 219.10 g/mol.
Where can I buy 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide?
You can request a quote for 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4,N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane-1-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.