![(5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/664/664349-47-7.png)
(5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 664349-47-7) is a chemical compound with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (Z)-5-((1-(4-(diethylamino)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-5-[[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H26N4O2S |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 3.19684 |
| Topological Polar Surface Area | 57.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.17764 |
| Heavy Atoms | 29 |
| Complexity | 1000.56476 |
Chemical Identifiers
| CAS Number | 664349-47-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=S)N(C3=O)C)C |
Product Overview
(5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 664349-47-7), with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol. IUPAC: (5Z)-5-[[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.19684 indicates that (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-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 57.58 Ų, (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 4 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 (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 664349-47-7.
What is the molecular formula of (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C22H26N4O2S.
What is the molecular weight of (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 410.18 g/mol.
Where can I buy (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-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 (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.