C21H13ClN6O4S
TL;DR: C21H13ClN6O4S (CAS 324064-55-3) is a chemical compound with molecular formula C21H13ClN6O4S and molecular weight 480.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl) (1E)-2-(4-chlorophenyl)-N-(4-nitroanilino)-2-oxoethanimidothioate
Also Known As: (2E)-1-(4-chlorophenyl)-3-[(4-nitrophenyl)amino]-2-(5-(4-pyridyl)(1,3,4-oxadia zol-2-yl)thio)-3-azaprop-2-en-1-one, (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl) (1E)-2-(4-chlorophenyl)-N-(4-nitroanilino)-2-oxoethanimidothioate, (E)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl 2-(4-chlorophenyl)-N'-(4-nitrophenyl)-2-oxoethanehydrazonothioate, 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl (1E)-2-(4-chlorophenyl)-N-(4-nitrophenyl)-2-oxoethanehydrazonothioate, 5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl (1E)-2-(4-chlorophenyl)-N-(4-nitrophenyl)-2-oxoethanehydrazonothioate
| Molecular Formula | C21H13ClN6O4S |
|---|---|
| Molecular Weight | 480.04 g/mol |
| LogP | 5.0938 |
| Topological Polar Surface Area | 136.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.04074 |
| Heavy Atoms | 33 |
| Complexity | 1310.8615 |
Chemical Identifiers
| CAS Number | 324064-55-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/SC3=NN=C(O3)C4=CC=NC=C4)Cl |
Product Overview
C21H13ClN6O4S (CAS 324064-55-3), with molecular formula C21H13ClN6O4S and molecular weight 480.04 g/mol. IUPAC: (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl) (1E)-2-(4-chlorophenyl)-N-(4-nitroanilino)-2-oxoethanimidothioate.
Chemical Property Profile of C21H13ClN6O4S
Property Insights of C21H13ClN6O4S
The XLogP value of 5.0938 indicates that C21H13ClN6O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.41 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H13ClN6O4S. Following Lipinski's Rule of Five, C21H13ClN6O4S has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H13ClN6O4S?
The CAS number of C21H13ClN6O4S is 324064-55-3.
What is the molecular formula of C21H13ClN6O4S?
The molecular formula of C21H13ClN6O4S is C21H13ClN6O4S.
What is the molecular weight of C21H13ClN6O4S?
The molecular weight of C21H13ClN6O4S is 480.04 g/mol.
Where can I buy C21H13ClN6O4S?
You can request a quote for C21H13ClN6O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H13ClN6O4S?
Yes, KEHONG BIO provides custom synthesis services for C21H13ClN6O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.