![1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene structure](/static/products/577/577989-54-9.png)
1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene
TL;DR: 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene (CAS 577989-54-9) is a chemical compound with molecular formula C21H17BrN2OS2 and molecular weight 456.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-5-(4-methylsulfanylphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene, 9-bromo-5-(4-(methylthio)phenyl)-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine, 9-bromo-5-(4-methylsulfanylphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine, 9-bromo-5-[4-(methylsulfanyl)phenyl]-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
| Molecular Formula | C21H17BrN2OS2 |
|---|---|
| Molecular Weight | 456.00 g/mol |
| LogP | 6.4748 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.99658 |
| Heavy Atoms | 27 |
| Complexity | 1001.5309 |
Chemical Identifiers
| CAS Number | 577989-54-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=C(O2)C=CC(=C5)Br |
Product Overview
1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene (CAS 577989-54-9), with molecular formula C21H17BrN2OS2 and molecular weight 456.00 g/mol. IUPAC: 9-bromo-5-(4-methylsulfanylphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene
Property Insights of 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene
The XLogP value of 6.4748 indicates that 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.83 Ų, 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene 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 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene?
The CAS number of 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene is 577989-54-9.
What is the molecular formula of 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene?
The molecular formula of 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene is C21H17BrN2OS2.
What is the molecular weight of 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene?
The molecular weight of 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene is 456.00 g/mol.
Where can I buy 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene?
You can request a quote for 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-bromo-9-(2-thienyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-6-yl))- 4-methylthiobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.