Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide
TL;DR: Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide (CAS 93930-25-7) is a chemical compound with molecular formula C12H14BrNO2S and molecular weight 314.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide
Also Known As: Karabemycin, Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide, propyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate;bromide, propyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide, 3-(2-oxo-2-propoxyethyl)-1,3-benzothiazol-3-ium bromide
| Molecular Formula | C12H14BrNO2S |
|---|---|
| Molecular Weight | 314.99 g/mol |
| LogP | -0.854 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.99286 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 93930-25-7 |
|---|---|
| SMILES | CCCOC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-] |
| InChIKey | QOUQYYWTEDUJDM-UHFFFAOYSA-M |
Product Overview
Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide (CAS 93930-25-7), with molecular formula C12H14BrNO2S and molecular weight 314.99 g/mol. IUPAC: propyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide.
Chemical Property Profile of Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide
Property Insights of Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide
The XLogP value of -0.854 indicates that Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide 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 Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide?
The CAS number of Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide is 93930-25-7.
What is the molecular formula of Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide?
The molecular formula of Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide is C12H14BrNO2S.
What is the molecular weight of Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide?
The molecular weight of Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide is 314.99 g/mol.
Where can I buy Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide?
You can request a quote for Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-(2-oxo-2-propoxyethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.