1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
TL;DR: 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 5677-49-6) is a chemical compound with molecular formula C20H16ClIN2O4S and molecular weight 541.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-chlorophenyl)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-1-(3-chlorophenyl)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H16ClIN2O4S |
|---|---|
| Molecular Weight | 541.96 g/mol |
| LogP | 4.1832 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.9564 |
| Heavy Atoms | 29 |
| Complexity | 1041.1365 |
Chemical Identifiers
| CAS Number | 5677-49-6 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl)I)OC |
Product Overview
1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 5677-49-6), with molecular formula C20H16ClIN2O4S and molecular weight 541.96 g/mol. IUPAC: (5E)-1-(3-chlorophenyl)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Property Insights of 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
The XLogP value of 4.1832 indicates that 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. Following Lipinski's Rule of Five, 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione has 1 hydrogen bond donor(s) and 5 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-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The CAS number of 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 5677-49-6.
What is the molecular formula of 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is C20H16ClIN2O4S.
What is the molecular weight of 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 541.96 g/mol.
Where can I buy 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorophenyl)-5-(3-ethoxy-5-iodo-4-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.