![2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine structure](/static/products/848/848867-75-4.png)
2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
TL;DR: 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CAS 848867-75-4) is a chemical compound with molecular formula C24H19ClN2O3S and molecular weight 450.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine, 2-(1,3-benzodioxol-5-yl)-9-chloro-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 2-(benzo[d][1,3]dioxol-5-yl)-9-chloro-5-(4-(methylthio)phenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine
| Molecular Formula | C24H19ClN2O3S |
|---|---|
| Molecular Weight | 450.08 g/mol |
| LogP | 6.0329 |
| Topological Polar Surface Area | 43.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.0805 |
| Heavy Atoms | 31 |
| Complexity | 1197.9288 |
Chemical Identifiers
| CAS Number | 848867-75-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Cl |
Product Overview
2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CAS 848867-75-4), with molecular formula C24H19ClN2O3S and molecular weight 450.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Property Insights of 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
The XLogP value of 6.0329 indicates that 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[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 43.29 Ų, 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The CAS number of 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is 848867-75-4.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is C24H19ClN2O3S.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is 450.08 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[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 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.