Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine
TL;DR: Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine (CAS 5981-17-9) is a chemical compound with molecular formula C12H21N3 and molecular weight 207.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6,11-triazatetracyclo[10.3.0.02,6.07,11]pentadecane
Also Known As: tripyrroline, 2-e][1,3,5]triazine, 1,6,11-triazatetracyclo[10.3.0.02,6.07,11]pentadecane, dodecahydro-3a,6a,9a-triaza-trindene, Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine
| Molecular Formula | C12H21N3 |
|---|---|
| Molecular Weight | 207.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.17355 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 5981-17-9 |
|---|---|
| SMILES | C1CC2N(C1)C3CCCN3C4N2CCC4 |
| InChIKey | POPXVWAQMYBXLI-UHFFFAOYSA-N |
Product Overview
Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine (CAS 5981-17-9), with molecular formula C12H21N3 and molecular weight 207.17 g/mol. IUPAC: 1,6,11-triazatetracyclo[10.3.0.02,6.07,11]pentadecane.
Chemical Property Profile of Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine
Property Insights of Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine. With a topological polar surface area (TPSA) of 9.7 Ų, Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine 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 Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine?
The CAS number of Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine is 5981-17-9.
What is the molecular formula of Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine?
The molecular formula of Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine is C12H21N3.
What is the molecular weight of Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine?
The molecular weight of Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine is 207.17 g/mol.
Where can I buy Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine?
You can request a quote for Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine?
Yes, KEHONG BIO provides custom synthesis services for Dodecahydrotripyrrolo(1,2-a:1',2'-c:1'',2''-e)(1,3,5)triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.