![(5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/471/471868-86-7.png)
(5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 471868-86-7) is a chemical compound with molecular formula C16H9ClN2O5S and molecular weight 375.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione, (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((5-chlorothiophen-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C16H9ClN2O5S |
|---|---|
| Molecular Weight | 375.99 g/mol |
| LogP | 2.7966 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.99207 |
| Heavy Atoms | 25 |
| Complexity | 951.7518 |
Chemical Identifiers
| CAS Number | 471868-86-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=O)/C(=C/C4=CC=C(S4)Cl)/C(=O)NC3=O |
Product Overview
(5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 471868-86-7), with molecular formula C16H9ClN2O5S and molecular weight 375.99 g/mol. IUPAC: (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.7966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-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 (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione is 471868-86-7.
What is the molecular formula of (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione is C16H9ClN2O5S.
What is the molecular weight of (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione is 375.99 g/mol.
Where can I buy (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-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 (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.