6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one
TL;DR: 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one (CAS 6699-45-2) 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.
6-bromo-3H-1,3-benzothiazol-2-one
Also Known As: 6-Bromo-2-benzothiazolinone, 6-Bromobenzo[d]thiazol-2(3H)-one, 6-bromo-2(3h)-benzothiazolone, 6-bromo-3H-1,3-benzothiazol-2-one, METHYLLAURATE
| Molecular Formula | C7H4BrNOS |
|---|---|
| Molecular Weight | 228.92 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.9197 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 6699-45-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)SC(=O)N2 |
| InChIKey | HECJMTPEVWQFCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one (CAS 6699-45-2), with molecular formula C7H4BrNOS and molecular weight 228.92 g/mol. IUPAC: 6-bromo-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one
Property Insights of 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one. With a topological polar surface area (TPSA) of 54.4 Ų, 6-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, 6-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 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
The CAS number of 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one is 6699-45-2.
What is the molecular formula of 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular formula of 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one is C7H4BrNOS.
What is the molecular weight of 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular weight of 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one is 228.92 g/mol.
Where can I buy 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
You can request a quote for 6-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 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.