Isotripiperidein
TL;DR: Isotripiperidein (CAS 482-59-7) is a chemical compound with molecular formula C15H27N3 and molecular weight 249.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane
Also Known As: Isotripiperidein, Isotripiperideine, hexadecahydro-1,9,14-triazatriphenylene, AE-562/12222502, 1,2,3,4,4a,4b,5,6,7,8,8b,9,10,11,12,12b-Hexadecahydro-1,8a,12a-triazatriphenylene
| Molecular Formula | C15H27N3 |
|---|---|
| Molecular Weight | 249.22 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.2205 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 482-59-7 |
|---|---|
| SMILES | C1CCN2C(C1)C3CCCNC3N4C2CCCC4 |
| InChIKey | BJPDKJGEOOTNHF-UHFFFAOYSA-N |
Product Overview
Isotripiperidein (CAS 482-59-7), with molecular formula C15H27N3 and molecular weight 249.22 g/mol. IUPAC: 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane.
Chemical Property Profile of Isotripiperidein
Property Insights of Isotripiperidein
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isotripiperidein. With a topological polar surface area (TPSA) of 18.5 Ų, Isotripiperidein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isotripiperidein has 1 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 Isotripiperidein?
The CAS number of Isotripiperidein is 482-59-7.
What is the molecular formula of Isotripiperidein?
The molecular formula of Isotripiperidein is C15H27N3.
What is the molecular weight of Isotripiperidein?
The molecular weight of Isotripiperidein is 249.22 g/mol.
Where can I buy Isotripiperidein?
You can request a quote for Isotripiperidein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotripiperidein?
Yes, KEHONG BIO provides custom synthesis services for Isotripiperidein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.