C19H19BrN2OS
TL;DR: C19H19BrN2OS (CAS 844449-48-5) is a chemical compound with molecular formula C19H19BrN2OS and molecular weight 402.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-5-(2-methylsulfanylethyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: 2-(3-bromophenyl)-5-(2-(methylthio)ethyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine, 2-(3-bromophenyl)-5-(2-methylsulfanylethyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine, 2-(3-bromophenyl)-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
| Molecular Formula | C19H19BrN2OS |
|---|---|
| Molecular Weight | 402.04 g/mol |
| LogP | 5.0718 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.04016 |
| Heavy Atoms | 24 |
| Complexity | 779.46704 |
Chemical Identifiers
| CAS Number | 844449-48-5 |
|---|---|
| SMILES | CSCCC1N2C(CC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4O1 |
Product Overview
C19H19BrN2OS (CAS 844449-48-5), with molecular formula C19H19BrN2OS and molecular weight 402.04 g/mol. IUPAC: 2-(3-bromophenyl)-5-(2-methylsulfanylethyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of C19H19BrN2OS
Property Insights of C19H19BrN2OS
The XLogP value of 5.0718 indicates that C19H19BrN2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.83 Ų, C19H19BrN2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H19BrN2OS has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H19BrN2OS?
The CAS number of C19H19BrN2OS is 844449-48-5.
What is the molecular formula of C19H19BrN2OS?
The molecular formula of C19H19BrN2OS is C19H19BrN2OS.
What is the molecular weight of C19H19BrN2OS?
The molecular weight of C19H19BrN2OS is 402.04 g/mol.
Where can I buy C19H19BrN2OS?
You can request a quote for C19H19BrN2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H19BrN2OS?
Yes, KEHONG BIO provides custom synthesis services for C19H19BrN2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.