CZ22EK3DYR
TL;DR: CZ22EK3DYR (CAS 84586-83-4) is a chemical compound with molecular formula C16H10ClN3OS3 and molecular weight 390.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione
Also Known As: 3-((1,3-Benzoxazol-2-ylthio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione, 3-((Benzo[d]oxazol-2-ylthio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione, 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione, 1,3,4-Thiadiazole-2(3H)-thione, 3-[(2-benzoxazolylthio)methyl]-5-(4-chlorophenyl)-, 3-[(2-Benzoxazolylthio)methyl]-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C16H10ClN3OS3 |
|---|---|
| Molecular Weight | 390.97 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.96747 |
| Heavy Atoms | 24 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 84586-83-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCN3C(=S)SC(=N3)C4=CC=C(C=C4)Cl |
| InChIKey | IMZWTCDBEGVVHZ-UHFFFAOYSA-N |
Product Overview
CZ22EK3DYR (CAS 84586-83-4), with molecular formula C16H10ClN3OS3 and molecular weight 390.97 g/mol. IUPAC: 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of CZ22EK3DYR
Property Insights of CZ22EK3DYR
The XLogP value of 5.9 indicates that CZ22EK3DYR is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CZ22EK3DYR. Following Lipinski's Rule of Five, CZ22EK3DYR has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CZ22EK3DYR?
The CAS number of CZ22EK3DYR is 84586-83-4.
What is the molecular formula of CZ22EK3DYR?
The molecular formula of CZ22EK3DYR is C16H10ClN3OS3.
What is the molecular weight of CZ22EK3DYR?
The molecular weight of CZ22EK3DYR is 390.97 g/mol.
Where can I buy CZ22EK3DYR?
You can request a quote for CZ22EK3DYR directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CZ22EK3DYR?
Yes, KEHONG BIO provides custom synthesis services for CZ22EK3DYR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.