A3984/0169709
TL;DR: A3984/0169709 (CAS 879474-15-4) is a chemical compound with molecular formula C16H12BrN3O2S and molecular weight 388.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione
Also Known As: A3984/0169709, 5-(4-bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazole-3-thiol, 3-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione, 5-(4-Bromo-phenyl)-4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-4H-[1,2,4]triazole-3-thiol, 5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H12BrN3O2S |
|---|---|
| Molecular Weight | 388.98 g/mol |
| LogP | 4.13059 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.98337 |
| Heavy Atoms | 23 |
| Complexity | 917.81995 |
Chemical Identifiers
| CAS Number | 879474-15-4 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC=C(C=C4)Br |
Product Overview
A3984/0169709 (CAS 879474-15-4), with molecular formula C16H12BrN3O2S and molecular weight 388.98 g/mol. IUPAC: 3-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of A3984/0169709
Property Insights of A3984/0169709
The XLogP value of 4.13059 indicates that A3984/0169709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, A3984/0169709 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3984/0169709 has 1 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 A3984/0169709?
The CAS number of A3984/0169709 is 879474-15-4.
What is the molecular formula of A3984/0169709?
The molecular formula of A3984/0169709 is C16H12BrN3O2S.
What is the molecular weight of A3984/0169709?
The molecular weight of A3984/0169709 is 388.98 g/mol.
Where can I buy A3984/0169709?
You can request a quote for A3984/0169709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3984/0169709?
Yes, KEHONG BIO provides custom synthesis services for A3984/0169709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.