![5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/4048/404848-40-4.webp)
5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 404848-40-4) is a chemical compound with molecular formula C30H25N5O2S and molecular weight 519.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one, 5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C30H25N5O2S |
|---|---|
| Molecular Weight | 519.17 g/mol |
| LogP | 6.00461 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.1729 |
| Heavy Atoms | 38 |
| Complexity | 1666.2988 |
Chemical Identifiers
| CAS Number | 404848-40-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C32)C=C4C(=N)N5C(=NC4=O)SC(=N5)COC6=CC=CC=C6)C |
Product Overview
5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 404848-40-4), with molecular formula C30H25N5O2S and molecular weight 519.17 g/mol. IUPAC: 5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 6.00461 indicates that 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-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 83.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 5 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-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 404848-40-4.
What is the molecular formula of 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is C30H25N5O2S.
What is the molecular weight of 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 519.17 g/mol.
Where can I buy 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-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 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydro-5-imino-6-[[2-methyl-1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-2-(phenoxymethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.