![(2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) structure](/static/products/181/18162-03-3.png)
(2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide)
TL;DR: (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) (CAS 18162-03-3) is a chemical compound with molecular formula C12H17N9O4S2 and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethyl]-5-nitro-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea
Also Known As: (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide), 1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethyl]-5-nitro-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea
| Molecular Formula | C12H17N9O4S2 |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | -1.9224 |
| Topological Polar Surface Area | 159.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.0845 |
| Heavy Atoms | 27 |
| Complexity | 889.8381 |
Chemical Identifiers
| CAS Number | 18162-03-3 |
|---|---|
| SMILES | CNC(=S)N/N=C/CN1C=C(C(=O)N(C1=O)C/C=N/NC(=S)NC)[N+](=O)[O-] |
Product Overview
(2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) (CAS 18162-03-3), with molecular formula C12H17N9O4S2 and molecular weight 415.08 g/mol. IUPAC: 1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethyl]-5-nitro-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea.
Chemical Property Profile of (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide)
Property Insights of (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide)
The XLogP value of -1.9224 indicates that (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.98 Ų indicates high polarity, suggesting (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) has 4 hydrogen bond donor(s) and 8 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 (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide)?
The CAS number of (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) is 18162-03-3.
What is the molecular formula of (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide)?
The molecular formula of (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) is C12H17N9O4S2.
What is the molecular weight of (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide)?
The molecular weight of (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) is 415.08 g/mol.
Where can I buy (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide)?
You can request a quote for (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide)?
Yes, KEHONG BIO provides custom synthesis services for (2E,2'E)-2,2'-{(5-Nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)di[(1E)-ethan-2-yl-1-ylidene]}bis(N-methylhydrazine-1-carbothioamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.