![3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one structure](/static/products/6858/685845-82-3.webp)
3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
TL;DR: 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one (CAS 685845-82-3) is a chemical compound with molecular formula C16H14BrN3OS and molecular weight 375.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
Also Known As: AP-906/42086934, 3-(4-bromobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one, 3-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one, 3-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]1,2,3-tria zin-4-one
| Molecular Formula | C16H14BrN3OS |
|---|---|
| Molecular Weight | 375.00 g/mol |
| LogP | 3.5426 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.0041 |
| Heavy Atoms | 22 |
| Complexity | 898.1352 |
Chemical Identifiers
| CAS Number | 685845-82-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=NN(C3=O)CC4=CC=C(C=C4)Br |
Product Overview
3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one (CAS 685845-82-3), with molecular formula C16H14BrN3OS and molecular weight 375.00 g/mol. IUPAC: 3-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one.
Chemical Property Profile of 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
Property Insights of 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
The XLogP value of 3.5426 indicates that 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one 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 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one?
The CAS number of 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one is 685845-82-3.
What is the molecular formula of 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one?
The molecular formula of 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one is C16H14BrN3OS.
What is the molecular weight of 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one?
The molecular weight of 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one is 375.00 g/mol.
Where can I buy 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one?
You can request a quote for 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Bromophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.