N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide
TL;DR: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide (CAS 791082-29-6) is a chemical compound with molecular formula C21H27N5O3S2 and molecular weight 461.15552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide
Also Known As: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide, N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-benzothiazol-2-ylsulfanyl-N-butyl-acetamide, N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-butylacetamide
Technical Specifications
| Molecular Formula | C21H27N5O3S2 |
| Molecular Weight | 461.15552 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.15552 Da |
| Heavy Atoms | 31 |
| Complexity | 717.0 |
| SMILES | CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSC2=NC3=CC=CC=C3S2)N |
| InChIKey | AXEREUNUAJXXHK-UHFFFAOYSA-N |
Chemical Property Profile of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide
Property Insights of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide
The XLogP value of 3.8 indicates that N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide?
The CAS number of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide is 791082-29-6.
What is the molecular formula of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide?
The molecular formula of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide is C21H27N5O3S2.
What is the molecular weight of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide?
The molecular weight of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide is 461.15552 g/mol.
Where can I buy N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide?
You can request a quote for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide?
Yes, CoreyChem provides custom synthesis services for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.