4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol
TL;DR: 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol (CAS 42580-28-9) is a chemical compound with molecular formula C13H10N4O2S and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-phenyltetrazol-5-yl)sulfanylbenzene-1,2-diol
Also Known As: EINECS 255-897-3, 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol, 4-[(1-PHENYL-1H-TETRAZOL-5-YL)THIO]PYROCATECHOL, 4-(1-Phenyl-1H-tetrazole-5-ylthio)benzene-1,2-diol, 4-[(1-Phenyl-1H-tetrazol-5-yl)thio]-1,2-benzenediol
| Molecular Formula | C13H10N4O2S |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 2.2247 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.05246 |
| Heavy Atoms | 20 |
| Complexity | 730.2459 |
Chemical Identifiers
| CAS Number | 42580-28-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SC3=CC(=C(C=C3)O)O |
Product Overview
4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol (CAS 42580-28-9), with molecular formula C13H10N4O2S and molecular weight 286.05 g/mol. IUPAC: 4-(1-phenyltetrazol-5-yl)sulfanylbenzene-1,2-diol.
Chemical Property Profile of 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol
Property Insights of 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol
The XLogP value of 2.2247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol. The TPSA of 84.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol. Following Lipinski's Rule of Five, 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol 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 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol?
The CAS number of 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol is 42580-28-9.
What is the molecular formula of 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol?
The molecular formula of 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol is C13H10N4O2S.
What is the molecular weight of 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol?
The molecular weight of 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol is 286.05 g/mol.
Where can I buy 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol?
You can request a quote for 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol?
Yes, KEHONG BIO provides custom synthesis services for 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.