![12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene structure](/static/products/7506/750617-98-2.webp)
12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
TL;DR: 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene (CAS 750617-98-2) is a chemical compound with molecular formula C19H14BrN3OS and molecular weight 411.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-5-pyridin-3-yl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene, F2804-0399, 9-bromo-5-pyridin-3-yl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine, 9-bromo-5-(pyridin-3-yl)-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine
| Molecular Formula | C19H14BrN3OS |
|---|---|
| Molecular Weight | 411.00 g/mol |
| LogP | 5.1479 |
| Topological Polar Surface Area | 37.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.0041 |
| Heavy Atoms | 25 |
| Complexity | 942.56775 |
Chemical Identifiers
| CAS Number | 750617-98-2 |
|---|---|
| SMILES | C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC=CS4)C5=CN=CC=C5 |
Product Overview
12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene (CAS 750617-98-2), with molecular formula C19H14BrN3OS and molecular weight 411.00 g/mol. IUPAC: 9-bromo-5-pyridin-3-yl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
Property Insights of 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
The XLogP value of 5.1479 indicates that 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.72 Ų, 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene?
The CAS number of 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene is 750617-98-2.
What is the molecular formula of 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene?
The molecular formula of 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene is C19H14BrN3OS.
What is the molecular weight of 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene?
The molecular weight of 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene is 411.00 g/mol.
Where can I buy 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene?
You can request a quote for 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 12-bromo-7-(pyridin-3-yl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.