C19H16BrN3OS
TL;DR: C19H16BrN3OS (CAS 331850-71-6) is a chemical compound with molecular formula C19H16BrN3OS and molecular weight 413.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-((4-allyl-5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-{[5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C19H16BrN3OS |
|---|---|
| Molecular Weight | 413.02 g/mol |
| LogP | 4.8686 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.01974 |
| Heavy Atoms | 25 |
| Complexity | 892.6947 |
Chemical Identifiers
| CAS Number | 331850-71-6 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br |
Product Overview
C19H16BrN3OS (CAS 331850-71-6), with molecular formula C19H16BrN3OS and molecular weight 413.02 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of C19H16BrN3OS
Property Insights of C19H16BrN3OS
The XLogP value of 4.8686 indicates that C19H16BrN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, C19H16BrN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H16BrN3OS has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H16BrN3OS?
The CAS number of C19H16BrN3OS is 331850-71-6.
What is the molecular formula of C19H16BrN3OS?
The molecular formula of C19H16BrN3OS is C19H16BrN3OS.
What is the molecular weight of C19H16BrN3OS?
The molecular weight of C19H16BrN3OS is 413.02 g/mol.
Where can I buy C19H16BrN3OS?
You can request a quote for C19H16BrN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H16BrN3OS?
Yes, KEHONG BIO provides custom synthesis services for C19H16BrN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.