2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
TL;DR: 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone (CAS 401602-69-5) is a chemical compound with molecular formula C15H11NO3S2 and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone, 2-benzothiazol-2-ylthio-1-(2,4-dihydroxyphenyl)ethan-1-one, 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-1-(2,4-dihydroxyphenyl)ethan-1-one
| Molecular Formula | C15H11NO3S2 |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | 3.6825 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.01804 |
| Heavy Atoms | 21 |
| Complexity | 780.5389 |
Chemical Identifiers
| CAS Number | 401602-69-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=C(C=C(C=C3)O)O |
Product Overview
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone (CAS 401602-69-5), with molecular formula C15H11NO3S2 and molecular weight 317.02 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
Property Insights of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
The XLogP value of 3.6825 indicates that 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone has 2 hydrogen bond donor(s) and 6 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-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
The CAS number of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone is 401602-69-5.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
The molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone is C15H11NO3S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
The molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone is 317.02 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
You can request a quote for 2-(1,3-Benzothiazol-2-ylsulfanyl)-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-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.