1,3-Diazaadamantane
TL;DR: 1,3-Diazaadamantane (CAS 281-29-8) is a chemical compound with molecular formula C1C2CN3CC1CN(C2)C3 and molecular weight 138.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: 1,3-Diazaadamantane, 1,3-Diazatricyclo(3.3.1.13,7)decane, 1,3-Diazatricyclo[3.3.1.13,7]decane, 1,3-Diazatricyclo[3.3.1.1<3,7>]decane, 1,3-Diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C1C2CN3CC1CN(C2)C3 |
|---|---|
| Molecular Weight | 138.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.11569 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 281-29-8 |
|---|---|
| SMILES | C1C2CN3CC1CN(C2)C3 |
| InChIKey | QQQIDWOQAXJWFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diazaadamantane (CAS 281-29-8), with molecular formula C1C2CN3CC1CN(C2)C3 and molecular weight 138.12 g/mol. IUPAC: 1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1,3-Diazaadamantane
Property Insights of 1,3-Diazaadamantane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazaadamantane. With a topological polar surface area (TPSA) of 6.5 Ų, 1,3-Diazaadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazaadamantane has 0 hydrogen bond donor(s) and 2 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-Diazaadamantane?
The CAS number of 1,3-Diazaadamantane is 281-29-8.
What is the molecular formula of 1,3-Diazaadamantane?
The molecular formula of 1,3-Diazaadamantane is C1C2CN3CC1CN(C2)C3.
What is the molecular weight of 1,3-Diazaadamantane?
The molecular weight of 1,3-Diazaadamantane is 138.12 g/mol.
Where can I buy 1,3-Diazaadamantane?
You can request a quote for 1,3-Diazaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.