![2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione structure](/static/products/876/876677-48-4.png)
2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
TL;DR: 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 876677-48-4) is a chemical compound with molecular formula C14H10BrNO3S and molecular weight 350.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-[(2-bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, (2-Bromobenzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[(2-bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
| Molecular Formula | C14H10BrNO3S |
|---|---|
| Molecular Weight | 350.96 g/mol |
| LogP | 2.7938 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.95648 |
| Heavy Atoms | 20 |
| Complexity | 801.5712 |
Chemical Identifiers
| CAS Number | 876677-48-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br |
Product Overview
2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 876677-48-4), with molecular formula C14H10BrNO3S and molecular weight 350.96 g/mol. IUPAC: 2-[(2-bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
Property Insights of 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
The XLogP value of 2.7938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione. With a topological polar surface area (TPSA) of 54.45 Ų, 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione has 0 hydrogen bond donor(s) and 3 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 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The CAS number of 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is 876677-48-4.
What is the molecular formula of 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular formula of 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is C14H10BrNO3S.
What is the molecular weight of 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular weight of 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is 350.96 g/mol.
Where can I buy 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
You can request a quote for 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.