5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione (CAS 374087-68-0) is a chemical compound with molecular formula C34H27N3O2S and molecular weight 541.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-benzylindol-3-yl)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione, 5-[(1-benzyl-1H-indol-3-yl)methylidene]-1,3-bis(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(1-benzylindol-3-yl)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C34H27N3O2S |
|---|---|
| Molecular Weight | 541.18 g/mol |
| LogP | 7.05474 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1824 |
| Heavy Atoms | 40 |
| Complexity | 1750.3369 |
Chemical Identifiers
| CAS Number | 374087-68-0 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)N(C2=S)C6=CC=CC=C6C |
Product Overview
5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione (CAS 374087-68-0), with molecular formula C34H27N3O2S and molecular weight 541.18 g/mol. IUPAC: 5-[(1-benzylindol-3-yl)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 7.05474 indicates that 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.55 Ų, 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is 374087-68-0.
What is the molecular formula of 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is C34H27N3O2S.
What is the molecular weight of 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is 541.18 g/mol.
Where can I buy 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.