![(5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/383/383370-61-4.png)
(5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 383370-61-4) is a chemical compound with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(3-imidazol-1-ylpropylamino)methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((3-(1H-imidazol-1-yl)propyl)amino)methylene)-1-(4-isopropylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H23N5O2S |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 3.42979 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.15726 |
| Heavy Atoms | 28 |
| Complexity | 1063.4658 |
Chemical Identifiers
| CAS Number | 383370-61-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=NCCCN3C=CN=C3)O |
Product Overview
(5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 383370-61-4), with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol. IUPAC: 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.42979 indicates that (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 5 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-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 383370-61-4.
What is the molecular formula of (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C20H23N5O2S.
What is the molecular weight of (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 397.16 g/mol.
Where can I buy (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-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-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.