![2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one structure](/static/products/4133/41335-45-9.webp)
2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 41335-45-9) 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-[(4-bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: UPCMLD0ENAT5710422:001, 2-[(4-bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one, AO-343/41780801, 2-(4-bromobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 2-(4-bromobenzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
| 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 | 784.3212 |
Chemical Identifiers
| CAS Number | 41335-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)Br |
Product Overview
2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 41335-45-9), with molecular formula C14H10BrNO3S and molecular weight 350.96 g/mol. IUPAC: 2-[(4-bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 2.7938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 54.45 Ų, 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one 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-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one is 41335-45-9.
What is the molecular formula of 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one is C14H10BrNO3S.
What is the molecular weight of 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one is 350.96 g/mol.
Where can I buy 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.