![[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate structure](/static/products/852/852708-26-0.png)
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate
TL;DR: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate (CAS 852708-26-0) is a chemical compound with molecular formula C20H27N5O7S and molecular weight 481.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate
Also Known As: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate|2-[(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)amino]-2-oxoethyl 5-nitrothiophene-2-carboxylate|MLS002161985|SMR001244400
| Molecular Formula | C20H27N5O7S |
|---|---|
| Molecular Weight | 481.16 g/mol |
| LogP | 2.1247 |
| Topological Polar Surface Area | 170.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 481.16312 |
| Heavy Atoms | 33 |
| Complexity | 1134.554 |
Chemical Identifiers
| CAS Number | 852708-26-0 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])N |
Product Overview
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate (CAS 852708-26-0), with molecular formula C20H27N5O7S and molecular weight 481.16 g/mol. IUPAC: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate.
Chemical Property Profile of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate
Property Insights of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate
The XLogP value of 2.1247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate. The TPSA of 170.63 Ų indicates high polarity, suggesting [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate has 2 hydrogen bond donor(s) and 9 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 [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate?
The CAS number of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate is 852708-26-0.
What is the molecular formula of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate?
The molecular formula of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate is C20H27N5O7S.
What is the molecular weight of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate?
The molecular weight of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate is 481.16 g/mol.
Where can I buy [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate?
You can request a quote for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.