5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one
TL;DR: 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one (CAS 199475-45-1) is a chemical compound with molecular formula C7H4BrNOS and molecular weight 228.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3H-1,3-benzothiazol-2-one
Also Known As: 5-Bromobenzo[d]thiazol-2(3H)-one, 5-Bromo-2(3H)-benzothiazolone, 5-bromo-3H-1,3-benzothiazol-2-one, 5-bromobenzothiazol-2-ol, 2(3H)-Benzothiazolone, 5-bromo-
| Molecular Formula | C7H4BrNOS |
|---|---|
| Molecular Weight | 228.92 g/mol |
| LogP | 2.3521 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.9197 |
| Heavy Atoms | 11 |
| Complexity | 444.88245 |
Chemical Identifiers
| CAS Number | 199475-45-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)NC(=O)S2 |
Product Overview
5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one (CAS 199475-45-1), with molecular formula C7H4BrNOS and molecular weight 228.92 g/mol. IUPAC: 5-bromo-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one
Property Insights of 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one
The XLogP value of 2.3521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one. With a topological polar surface area (TPSA) of 32.86 Ų, 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one has 1 hydrogen bond donor(s) and 2 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 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
The CAS number of 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one is 199475-45-1.
What is the molecular formula of 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular formula of 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one is C7H4BrNOS.
What is the molecular weight of 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular weight of 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one is 228.92 g/mol.
Where can I buy 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
You can request a quote for 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.