![9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine structure](/static/products/840/840478-08-2.png)
9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
TL;DR: 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (CAS 840478-08-2) is a chemical compound with molecular formula C22H19BrN2O2S and molecular weight 454.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine, 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
| Molecular Formula | C22H19BrN2O2S |
|---|---|
| Molecular Weight | 454.04 g/mol |
| LogP | 6.06992 |
| Topological Polar Surface Area | 34.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.03506 |
| Heavy Atoms | 28 |
| Complexity | 1060.6537 |
Chemical Identifiers
| CAS Number | 840478-08-2 |
|---|---|
| SMILES | CC1=CC=C(S1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)OC |
Product Overview
9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (CAS 840478-08-2), with molecular formula C22H19BrN2O2S and molecular weight 454.04 g/mol. IUPAC: 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Property Insights of 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
The XLogP value of 6.06992 indicates that 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-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 34.06 Ų, 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-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-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-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-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The CAS number of 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is 840478-08-2.
What is the molecular formula of 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The molecular formula of 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is C22H19BrN2O2S.
What is the molecular weight of 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The molecular weight of 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is 454.04 g/mol.
Where can I buy 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
You can request a quote for 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-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-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.