4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol
TL;DR: 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol (CAS 438540-27-3) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol
Also Known As: 4-nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol, 4-nitro-2-(5-phenyl(1,3,4-thiadiazolin-2-yl))phenol
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.9972 |
| Topological Polar Surface Area | 87.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 718.6591 |
Chemical Identifiers
| CAS Number | 438540-27-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(S2)C3=C(C=CC(=C3)[N+](=O)[O-])O |
Product Overview
4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol (CAS 438540-27-3), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: 4-nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol.
Chemical Property Profile of 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol
Property Insights of 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol
The XLogP value of 2.9972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol. The TPSA of 87.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol. Following Lipinski's Rule of Five, 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol 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-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol?
The CAS number of 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol is 438540-27-3.
What is the molecular formula of 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol?
The molecular formula of 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol is C14H11N3O3S.
What is the molecular weight of 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol?
The molecular weight of 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol is 301.05 g/mol.
Where can I buy 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol?
You can request a quote for 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.