![3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene structure](/static/products/2491/24919-43-5.webp)
3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene
TL;DR: 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene (CAS 24919-43-5) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6a,7,8,9,11-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine
Also Known As: 3,9-diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene, NCI60_028100, 3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),11,13-triene, J3.547.680F, 6,6a,7,8,9,11-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 24919-43-5 |
|---|---|
| SMILES | C1CC2CNC3=CC=CC=C3CN2C1 |
| InChIKey | QZLFCLRNSOXWFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene (CAS 24919-43-5), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 6,6a,7,8,9,11-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine.
Chemical Property Profile of 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene
Property Insights of 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene. With a topological polar surface area (TPSA) of 15.3 Ų, 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene has 1 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 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene?
The CAS number of 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene is 24919-43-5.
What is the molecular formula of 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene?
The molecular formula of 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene is C12H16N2.
What is the molecular weight of 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene?
The molecular weight of 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene is 188.13 g/mol.
Where can I buy 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene?
You can request a quote for 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.