1,3,5-Triaza-7-phosphaadamantane 7-oxide
TL;DR: 1,3,5-Triaza-7-phosphaadamantane 7-oxide (CAS 53597-70-9) is a chemical compound with molecular formula C6H12N3OP and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-triaza-7λ5-phosphatricyclo[3.3.1.13,7]decane 7-oxide
Also Known As: 1,3,5-Triaza-7-phosphaadamantane 7-oxide, 1,3,5-Triaza-7-phosphaadamantane-7-oxide, 1,3,5-Triaza-7-phosphaadamantane-7-one, 1-Phospha-3,5,7-triazaadamantane-1-one, 7-Oxo-1,3,5-triaza-7-phosphaadamantane
| Molecular Formula | C6H12N3OP |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.0718 |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 53597-70-9 |
|---|---|
| SMILES | C1N2CN3CN1CP(=O)(C2)C3 |
| InChIKey | BPHLLGJNQPYNDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Triaza-7-phosphaadamantane 7-oxide (CAS 53597-70-9), with molecular formula C6H12N3OP and molecular weight 173.07 g/mol. IUPAC: 1,3,5-triaza-7λ5-phosphatricyclo[3.3.1.13,7]decane 7-oxide.
Chemical Property Profile of 1,3,5-Triaza-7-phosphaadamantane 7-oxide
Property Insights of 1,3,5-Triaza-7-phosphaadamantane 7-oxide
The XLogP value of -0.6 indicates that 1,3,5-Triaza-7-phosphaadamantane 7-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.8 Ų, 1,3,5-Triaza-7-phosphaadamantane 7-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Triaza-7-phosphaadamantane 7-oxide 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-Triaza-7-phosphaadamantane 7-oxide?
The CAS number of 1,3,5-Triaza-7-phosphaadamantane 7-oxide is 53597-70-9.
What is the molecular formula of 1,3,5-Triaza-7-phosphaadamantane 7-oxide?
The molecular formula of 1,3,5-Triaza-7-phosphaadamantane 7-oxide is C6H12N3OP.
What is the molecular weight of 1,3,5-Triaza-7-phosphaadamantane 7-oxide?
The molecular weight of 1,3,5-Triaza-7-phosphaadamantane 7-oxide is 173.07 g/mol.
Where can I buy 1,3,5-Triaza-7-phosphaadamantane 7-oxide?
You can request a quote for 1,3,5-Triaza-7-phosphaadamantane 7-oxide 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-Triaza-7-phosphaadamantane 7-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triaza-7-phosphaadamantane 7-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.