2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol
TL;DR: 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol (CAS 22122-82-3) is a chemical compound with molecular formula C14H11NO2S and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylmethyl)benzene-1,4-diol
Also Known As: IFLab1_003971, BAS 05229041, 2-(1,3-benzothiazol-2-ylmethyl)benzene-1,4-diol, 2-Benzothiazol-2-ylmethyl-benzene-1,4-diol, 2-(1,3-benzothiazol-2-ylmethyl)-1,4-benzenediol
| Molecular Formula | C14H11NO2S |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.05106 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 22122-82-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CC3=C(C=CC(=C3)O)O |
| InChIKey | ATJOCWHSJVOJDA-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol (CAS 22122-82-3), with molecular formula C14H11NO2S and molecular weight 257.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylmethyl)benzene-1,4-diol.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol
Property Insights of 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol
The XLogP value of 3.6 indicates that 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol has 2 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 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol?
The CAS number of 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol is 22122-82-3.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol?
The molecular formula of 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol is C14H11NO2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol?
The molecular weight of 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol is 257.05 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol?
You can request a quote for 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol 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-ylmethyl)benzene-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylmethyl)benzene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.