1,3,5-三氮杂-7-磷杂金刚烷
TL;DR: 1,3,5-三氮杂-7-磷杂金刚烷 (CAS 53597-69-6) is a chemical compound with molecular formula C6H12N3P and molecular weight 157.08 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
1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decane
Also Known As: 1,3,5-Triaza-7-phosphaadamantane, PTA ligand, 1,5-Triaza-9-phospha-adamantane, 1,3,5-Triaza-7-phosphatricyclo[3.3.1.13,7]decane, 1,3,7-Triaza-5-phosphaadamantane
| Molecular Formula | C6H12N3P |
|---|---|
| Molecular Weight | 157.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.07689 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 53597-69-6 |
|---|---|
| SMILES | C1N2CN3CN1CP(C2)C3 |
| InChIKey | FXXRPTKTLVHPAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-三氮杂-7-磷杂金刚烷 (CAS 53597-69-6), with molecular formula C6H12N3P and molecular weight 157.08 g/mol. IUPAC: 1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1,3,5-三氮杂-7-磷杂金刚烷
Property Insights of 1,3,5-三氮杂-7-磷杂金刚烷
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-三氮杂-7-磷杂金刚烷. With a topological polar surface area (TPSA) of 9.7 Ų, 1,3,5-三氮杂-7-磷杂金刚烷 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 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 1,3,5-三氮杂-7-磷杂金刚烷?
The CAS number of 1,3,5-三氮杂-7-磷杂金刚烷 is 53597-69-6.
What is the molecular formula of 1,3,5-三氮杂-7-磷杂金刚烷?
The molecular formula of 1,3,5-三氮杂-7-磷杂金刚烷 is C6H12N3P.
What is the molecular weight of 1,3,5-三氮杂-7-磷杂金刚烷?
The molecular weight of 1,3,5-三氮杂-7-磷杂金刚烷 is 157.08 g/mol.
Where can I buy 1,3,5-三氮杂-7-磷杂金刚烷?
You can request a quote for 1,3,5-三氮杂-7-磷杂金刚烷 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?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-三氮杂-7-磷杂金刚烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.