2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone
TL;DR: 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone (CAS 58629-06-4) is a chemical compound with molecular formula C15H11NO3S and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone
Also Known As: 2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone, 2-(2,4-dihydroxyphenacyl)benzothiazole, 2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethan-1-one, 2-(benzo[d]thiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethan-1-one, VU0189515-6
| Molecular Formula | C15H11NO3S |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.04596 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 58629-06-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CC(=O)C3=C(C=C(C=C3)O)O |
| InChIKey | CXIQQTIRADBDIU-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone (CAS 58629-06-4), with molecular formula C15H11NO3S and molecular weight 285.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone
Property Insights of 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone
The XLogP value of 3.5 indicates that 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone has 2 hydrogen bond donor(s) and 5 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-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone is 58629-06-4.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone is C15H11NO3S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone is 285.05 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.