1,3,5-三氮杂-7-磷杂金刚烷7-硫化物
TL;DR: 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物 (CAS 56796-56-6) is a chemical compound with molecular formula C6H12N3PS and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-三氮杂-7-磷杂金刚烷7-硫化物
7-sulfanylidene-1,3,5-triaza-7λ5-phosphatricyclo[3.3.1.13,7]decane
Also Known As: 1,3,5-Triaza-7-phosphaadamantane 7-sulfide, 1,3,5-triaza-7-phosphaadamantane-7-sulfide, 1,3,5-Triaza-7-phosphaadamantane-P-sulfide, 7-Thioxo-1,3,5-triaza-7-phosphaadamantane, J2.841.708J
| Molecular Formula | C6H12N3PS |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.04895 |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 56796-56-6 |
|---|---|
| SMILES | C1N2CN3CN1CP(=S)(C2)C3 |
| InChIKey | HSQSVCLFSXESCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-三氮杂-7-磷杂金刚烷7-硫化物 (CAS 56796-56-6), with molecular formula C6H12N3PS and molecular weight 189.05 g/mol. IUPAC: 7-sulfanylidene-1,3,5-triaza-7λ5-phosphatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物
Property Insights of 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物. With a topological polar surface area (TPSA) of 41.8 Ų, 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物 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 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物?
The CAS number of 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物 is 56796-56-6.
What is the molecular formula of 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物?
The molecular formula of 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物 is C6H12N3PS.
What is the molecular weight of 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物?
The molecular weight of 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物 is 189.05 g/mol.
Where can I buy 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物?
You can request a quote for 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-三氮杂-7-磷杂金刚烷7-硫化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.