1,3,5-Triazaadamantane
TL;DR: 1,3,5-Triazaadamantane (CAS 281-31-2) is a chemical compound with molecular formula C7H13N3 and molecular weight 139.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-triazatricyclo[3.3.1.13,7]decane
Also Known As: 1,3,5-Triazaadamantane, 1,3,5-triazatricyclo[3.3.1.1~3,7~]decane, 1,3,5-triazatricyclo[3.3.1.1<3,7>]decane
| Molecular Formula | C7H13N3 |
|---|---|
| Molecular Weight | 139.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.11095 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 281-31-2 |
|---|---|
| SMILES | C1C2CN3CN1CN(C2)C3 |
| InChIKey | XZDLLQQBTVSJJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Triazaadamantane (CAS 281-31-2), with molecular formula C7H13N3 and molecular weight 139.11 g/mol. IUPAC: 1,3,5-triazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1,3,5-Triazaadamantane
Property Insights of 1,3,5-Triazaadamantane
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazaadamantane. With a topological polar surface area (TPSA) of 9.7 Ų, 1,3,5-Triazaadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Triazaadamantane 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-Triazaadamantane?
The CAS number of 1,3,5-Triazaadamantane is 281-31-2.
What is the molecular formula of 1,3,5-Triazaadamantane?
The molecular formula of 1,3,5-Triazaadamantane is C7H13N3.
What is the molecular weight of 1,3,5-Triazaadamantane?
The molecular weight of 1,3,5-Triazaadamantane is 139.11 g/mol.
Where can I buy 1,3,5-Triazaadamantane?
You can request a quote for 1,3,5-Triazaadamantane 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-Triazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.