C16H13ClN4OS4
TL;DR: C16H13ClN4OS4 (CAS 489399-45-3) is a chemical compound with molecular formula C16H13ClN4OS4 and molecular weight 439.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Also Known As: 2-({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(Z)-thiophen-2-ylmethylidene]acetohydrazide, 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide, N-((1Z)-2-(2-thienyl)-1-azavinyl)-2-{5-[(2-chlorophenyl)methylthio](1,3,4-thia diazol-2-ylthio)}acetamide, C16H13ClN4OS4
| Molecular Formula | C16H13ClN4OS4 |
|---|---|
| Molecular Weight | 439.97 g/mol |
| LogP | 4.7877 |
| Topological Polar Surface Area | 67.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.96606 |
| Heavy Atoms | 26 |
| Complexity | 882.0243 |
Chemical Identifiers
| CAS Number | 489399-45-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C(S2)SCC(=O)N/N=C\C3=CC=CS3)Cl |
Product Overview
C16H13ClN4OS4 (CAS 489399-45-3), with molecular formula C16H13ClN4OS4 and molecular weight 439.97 g/mol. IUPAC: 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
Chemical Property Profile of C16H13ClN4OS4
Property Insights of C16H13ClN4OS4
The XLogP value of 4.7877 indicates that C16H13ClN4OS4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.24 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H13ClN4OS4. Following Lipinski's Rule of Five, C16H13ClN4OS4 has 1 hydrogen bond donor(s) and 8 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 C16H13ClN4OS4?
The CAS number of C16H13ClN4OS4 is 489399-45-3.
What is the molecular formula of C16H13ClN4OS4?
The molecular formula of C16H13ClN4OS4 is C16H13ClN4OS4.
What is the molecular weight of C16H13ClN4OS4?
The molecular weight of C16H13ClN4OS4 is 439.97 g/mol.
Where can I buy C16H13ClN4OS4?
You can request a quote for C16H13ClN4OS4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H13ClN4OS4?
Yes, KEHONG BIO provides custom synthesis services for C16H13ClN4OS4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.