![1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/4620/462075-94-1.webp)
1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione (CAS 462075-94-1) is a chemical compound with molecular formula C29H23N3O2S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2-sulfanylidene-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione
Also Known As: 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione, 1,3-dimethyl-2-sulfanylidene-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione, 1,3-Dimethyl-2-sulfanylidene-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione, 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenylpyrrol-3-yl)methylene]-1,3-dihydropyr imidine-4,6-dione, Dihydro-1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylene]-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C29H23N3O2S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 5.41 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.1511 |
| Heavy Atoms | 35 |
| Complexity | 1432.0748 |
Chemical Identifiers
| CAS Number | 462075-94-1 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(C1=S)C |
Product Overview
1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione (CAS 462075-94-1), with molecular formula C29H23N3O2S and molecular weight 477.15 g/mol. IUPAC: 1,3-dimethyl-2-sulfanylidene-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 5.41 indicates that 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-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, 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-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 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione is 462075-94-1.
What is the molecular formula of 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione is C29H23N3O2S.
What is the molecular weight of 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione is 477.15 g/mol.
Where can I buy 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-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 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.