1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-
TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)- (CAS 54543-83-8) is a chemical compound with molecular formula C15H12N4O4S and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxyphenyl)-3-[(3-nitroanilino)methyl]-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-, 5-(2-Hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-1,3,4-oxadiazole-2(3H)-thione, 3-({3-nitroanilino}methyl)-5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione, 5-(2-Hydroxyphenyl)-3-[(3-nitrophenyl)aminomethyl]-1,3,4-oxadiazole-2(3H)-thione, (6E)-6-[4-[(3-nitroanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C15H12N4O4S |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 3.55599 |
| Topological Polar Surface Area | 106.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.05792 |
| Heavy Atoms | 24 |
| Complexity | 950.39716 |
Chemical Identifiers
| CAS Number | 54543-83-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC(=CC=C3)[N+](=O)[O-])O |
Product Overview
1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)- (CAS 54543-83-8), with molecular formula C15H12N4O4S and molecular weight 344.06 g/mol. IUPAC: 5-(2-hydroxyphenyl)-3-[(3-nitroanilino)methyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-
Property Insights of 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-
The XLogP value of 3.55599 indicates that 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)- has 2 hydrogen bond donor(s) and 7 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 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-?
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)- is 54543-83-8.
What is the molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-?
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)- is C15H12N4O4S.
What is the molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-?
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)- is 344.06 g/mol.
Where can I buy 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-?
You can request a quote for 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-3-(((3-nitrophenyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.