1,2-Benzenediol, 4-(2-benzothiazolyl)-
TL;DR: 1,2-Benzenediol, 4-(2-benzothiazolyl)- (CAS 96460-77-4) is a chemical compound with molecular formula C13H9NO2S and molecular weight 243.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
Also Known As: NIOSH/CZ8788000, 1,2-Benzenediol, 4-(2-benzothiazolyl)-, 4-(2-Benzothiazolyl)-1,2-benzenediol, 2-(3',4'-Dihydroxyphenyl)benzothiazole, 2-(3,4-dihydroxyphenyl)benzothiazole
| Molecular Formula | C13H9NO2S |
|---|---|
| Molecular Weight | 243.04 g/mol |
| LogP | 3.3745 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.0354 |
| Heavy Atoms | 17 |
| Complexity | 657.7023 |
Chemical Identifiers
| CAS Number | 96460-77-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)O)O |
Product Overview
1,2-Benzenediol, 4-(2-benzothiazolyl)- (CAS 96460-77-4), with molecular formula C13H9NO2S and molecular weight 243.04 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)benzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 4-(2-benzothiazolyl)-
Property Insights of 1,2-Benzenediol, 4-(2-benzothiazolyl)-
The XLogP value of 3.3745 indicates that 1,2-Benzenediol, 4-(2-benzothiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 1,2-Benzenediol, 4-(2-benzothiazolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-(2-benzothiazolyl)- 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 1,2-Benzenediol, 4-(2-benzothiazolyl)-?
The CAS number of 1,2-Benzenediol, 4-(2-benzothiazolyl)- is 96460-77-4.
What is the molecular formula of 1,2-Benzenediol, 4-(2-benzothiazolyl)-?
The molecular formula of 1,2-Benzenediol, 4-(2-benzothiazolyl)- is C13H9NO2S.
What is the molecular weight of 1,2-Benzenediol, 4-(2-benzothiazolyl)-?
The molecular weight of 1,2-Benzenediol, 4-(2-benzothiazolyl)- is 243.04 g/mol.
Where can I buy 1,2-Benzenediol, 4-(2-benzothiazolyl)-?
You can request a quote for 1,2-Benzenediol, 4-(2-benzothiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 4-(2-benzothiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-(2-benzothiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.