F1589-1042
TL;DR: F1589-1042 (CAS 379722-80-2) is a chemical compound with molecular formula C21H18N2OS2 and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylsulfanylphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: F1589-1042, 5-(4-methylsulfanylphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine, 5-[4-(methylsulfanyl)phenyl]-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 5-(4-(methylthio)phenyl)-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine, 7-[4-(methylsulfanyl)phenyl]-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
| Molecular Formula | C21H18N2OS2 |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 5.7123 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.08606 |
| Heavy Atoms | 26 |
| Complexity | 950.4071 |
Chemical Identifiers
| CAS Number | 379722-80-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2 |
Product Overview
F1589-1042 (CAS 379722-80-2), with molecular formula C21H18N2OS2 and molecular weight 378.09 g/mol. IUPAC: 5-(4-methylsulfanylphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of F1589-1042
Property Insights of F1589-1042
The XLogP value of 5.7123 indicates that F1589-1042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.83 Ų, F1589-1042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1589-1042 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 F1589-1042?
The CAS number of F1589-1042 is 379722-80-2.
What is the molecular formula of F1589-1042?
The molecular formula of F1589-1042 is C21H18N2OS2.
What is the molecular weight of F1589-1042?
The molecular weight of F1589-1042 is 378.09 g/mol.
Where can I buy F1589-1042?
You can request a quote for F1589-1042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1589-1042?
Yes, KEHONG BIO provides custom synthesis services for F1589-1042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.