![5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one structure](/static/products/5777/577761-63-8.webp)
5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one
TL;DR: 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one (CAS 577761-63-8) is a chemical compound with molecular formula C25H21N5O2S2 and molecular weight 487.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one, 3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
| Molecular Formula | C25H21N5O2S2 |
|---|---|
| Molecular Weight | 487.11 g/mol |
| LogP | 5.07717 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.11368 |
| Heavy Atoms | 34 |
| Complexity | 1299.1097 |
Chemical Identifiers
| CAS Number | 577761-63-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NSC3=NC(=O)C(=CC4=CC=CN4CCOC5=CC=CC=C5)C(=N)N32 |
Product Overview
5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one (CAS 577761-63-8), with molecular formula C25H21N5O2S2 and molecular weight 487.11 g/mol. IUPAC: 3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one.
Chemical Property Profile of 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one
Property Insights of 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one
The XLogP value of 5.07717 indicates that 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-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 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one?
The CAS number of 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one is 577761-63-8.
What is the molecular formula of 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular formula of 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one is C25H21N5O2S2.
What is the molecular weight of 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular weight of 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one is 487.11 g/mol.
Where can I buy 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one?
You can request a quote for 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-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 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.