5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 900282-59-9) is a chemical compound with molecular formula C18H19ClN4O5 and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2-chloroacetyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-[1-(chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C18H19ClN4O5 |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 0.7147 |
| Topological Polar Surface Area | 106.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.1044 |
| Heavy Atoms | 28 |
| Complexity | 1071.1091 |
Chemical Identifiers
| CAS Number | 900282-59-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=O)CCl)O |
Product Overview
5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 900282-59-9), with molecular formula C18H19ClN4O5 and molecular weight 406.10 g/mol. IUPAC: 5-[2-(2-chloroacetyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 0.7147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 106.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 6 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 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 900282-59-9.
What is the molecular formula of 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C18H19ClN4O5.
What is the molecular weight of 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 406.10 g/mol.
Where can I buy 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-(2-chloroacetyl)-5-(4-methoxyphenyl)pyrazolidin-3-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.