Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate
TL;DR: Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate (CAS 54529-78-1) is a chemical compound with molecular formula C14H12N3O3PS and molecular weight 333.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-diphenoxyphosphoryl-1,3,4-thiadiazol-2-amine
Also Known As: N-diphenoxyphosphoryl-1,3,4-thiadiazol-2-amine, Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate, Diphenyl N-(1,3,4-thiadiazol-2-yl)phosphoramidate
| Molecular Formula | C14H12N3O3PS |
|---|---|
| Molecular Weight | 333.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.0337 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 54529-78-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OP(=O)(NC2=NN=CS2)OC3=CC=CC=C3 |
| InChIKey | NDTXMFTXEMZGPD-UHFFFAOYSA-N |
Product Overview
Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate (CAS 54529-78-1), with molecular formula C14H12N3O3PS and molecular weight 333.03 g/mol. IUPAC: N-diphenoxyphosphoryl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate
Property Insights of Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate
The XLogP value of 3.8 indicates that Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate. Following Lipinski's Rule of Five, Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate has 1 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 Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate?
The CAS number of Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate is 54529-78-1.
What is the molecular formula of Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate?
The molecular formula of Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate is C14H12N3O3PS.
What is the molecular weight of Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate?
The molecular weight of Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate is 333.03 g/mol.
Where can I buy Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate?
You can request a quote for Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.