![9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine structure](/static/products/627/627889-62-7.png)
9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
TL;DR: 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (CAS 627889-62-7) is a chemical compound with molecular formula C20H16BrN3OS and molecular weight 425.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2-(5-methylthiophen-2-yl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 9-BROMO-2-(5-METHYL-2-THIENYL)-5-(4-PYRIDYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZINE, 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine, 9-bromo-2-(5-methylthiophen-2-yl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
| Molecular Formula | C20H16BrN3OS |
|---|---|
| Molecular Weight | 425.02 g/mol |
| LogP | 5.45632 |
| Topological Polar Surface Area | 37.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.01974 |
| Heavy Atoms | 26 |
| Complexity | 1001.3007 |
Chemical Identifiers
| CAS Number | 627889-62-7 |
|---|---|
| SMILES | CC1=CC=C(S1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=NC=C5 |
Product Overview
9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (CAS 627889-62-7), with molecular formula C20H16BrN3OS and molecular weight 425.02 g/mol. IUPAC: 9-bromo-2-(5-methylthiophen-2-yl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Property Insights of 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
The XLogP value of 5.45632 indicates that 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.72 Ų, 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine 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 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The CAS number of 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is 627889-62-7.
What is the molecular formula of 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The molecular formula of 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is C20H16BrN3OS.
What is the molecular weight of 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The molecular weight of 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is 425.02 g/mol.
Where can I buy 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
You can request a quote for 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 9-bromo-2-(5-methylthiophen-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.