RefChem:307232
TL;DR: RefChem:307232 (CAS 82746-89-2) is a chemical compound with molecular formula C17H15N7O2S2 and molecular weight 413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine
Also Known As: 6-Benzothiazolamine, 2-(ethylthio)-N-((5-(4-nitrophenyl)-1H-tetrazol-1-yl)methyl)-, 2-(Ethylthio)-N-((5-(4-nitrophenyl)-1H-tetrazol-1-yl)methyl)-6-benzothiazolamine, 2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine, 2-(ethylsulfanyl)-N-{[5-(4-nitrophenyl)-1H-tetrazol-1-yl]methyl}-1,3-benzothiazol-6-amine, 6-BENZOTHIAZOLAMINE, 2-(ETHYLTHIO)-N-((5-(4-NITROPHENYL)-1H-TETRAZOL-1-YL)METHYL
| Molecular Formula | C17H15N7O2S2 |
|---|---|
| Molecular Weight | 413.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.07288 |
| Heavy Atoms | 28 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 82746-89-2 |
|---|---|
| SMILES | CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | LIIMDKKKDSWCAF-UHFFFAOYSA-N |
Product Overview
RefChem:307232 (CAS 82746-89-2), with molecular formula C17H15N7O2S2 and molecular weight 413.07 g/mol. IUPAC: 2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine.
Chemical Property Profile of RefChem:307232
Property Insights of RefChem:307232
The XLogP value of 4.4 indicates that RefChem:307232 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting RefChem:307232 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:307232 has 1 hydrogen bond donor(s) and 9 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 RefChem:307232?
The CAS number of RefChem:307232 is 82746-89-2.
What is the molecular formula of RefChem:307232?
The molecular formula of RefChem:307232 is C17H15N7O2S2.
What is the molecular weight of RefChem:307232?
The molecular weight of RefChem:307232 is 413.07 g/mol.
Where can I buy RefChem:307232?
You can request a quote for RefChem:307232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:307232?
Yes, KEHONG BIO provides custom synthesis services for RefChem:307232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.