![[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate structure](/static/products/852/852308-79-3.png)
[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 852308-79-3) is a chemical compound with molecular formula C22H31N5O5S and molecular weight 477.20 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] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate|[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate|MLS002161895|SMR001244312|EN300-26616168
| Molecular Formula | C22H31N5O5S |
|---|---|
| Molecular Weight | 477.20 g/mol |
| LogP | 2.2719 |
| Topological Polar Surface Area | 140.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 477.2046 |
| Heavy Atoms | 33 |
| Complexity | 1095.3146 |
Chemical Identifiers
| CAS Number | 852308-79-3 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)COC(=O)C2=C(N=CC=C2)SC)N |
Product Overview
[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 852308-79-3), with molecular formula C22H31N5O5S and molecular weight 477.20 g/mol. IUPAC: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 2.2719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. The TPSA of 140.38 Ų indicates high polarity, suggesting [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate has 2 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 [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 852308-79-3.
What is the molecular formula of [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C22H31N5O5S.
What is the molecular weight of [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 477.20 g/mol.
Where can I buy [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(3-methylbutyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.