![(6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/2971/297161-85-4.webp)
(6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 297161-85-4) is a chemical compound with molecular formula C18H13ClN4O2S2 and molecular weight 416.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C18H13ClN4O2S2 |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 5.11337 |
| Topological Polar Surface Area | 82.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.01685 |
| Heavy Atoms | 27 |
| Complexity | 1024.2375 |
Chemical Identifiers
| CAS Number | 297161-85-4 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C\C3=CC=C(O3)SC4=CC=C(C=C4)Cl)/C(=O)N=C2S1 |
Product Overview
(6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 297161-85-4), with molecular formula C18H13ClN4O2S2 and molecular weight 416.02 g/mol. IUPAC: (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 5.11337 indicates that (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 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 (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 297161-85-4.
What is the molecular formula of (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C18H13ClN4O2S2.
What is the molecular weight of (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 416.02 g/mol.
Where can I buy (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.