![(5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/6773/677344-97-7.webp)
(5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 677344-97-7) is a chemical compound with molecular formula C19H17Cl2N3O2S and molecular weight 421.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C19H17Cl2N3O2S |
|---|---|
| Molecular Weight | 421.04 g/mol |
| LogP | 4.3812 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.04184 |
| Heavy Atoms | 27 |
| Complexity | 989.08124 |
Chemical Identifiers
| CAS Number | 677344-97-7 |
|---|---|
| SMILES | CC(C)(C)N1C=CC=C1/C=C/2\C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl |
Product Overview
(5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 677344-97-7), with molecular formula C19H17Cl2N3O2S and molecular weight 421.04 g/mol. IUPAC: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.3812 indicates that (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-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 54.34 Ų, (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 677344-97-7.
What is the molecular formula of (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C19H17Cl2N3O2S.
What is the molecular weight of (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 421.04 g/mol.
Where can I buy (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-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 (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.