![2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide structure](/static/products/893/893905-47-0.png)
2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide
TL;DR: 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide (CAS 893905-47-0) is a chemical compound with molecular formula C19H27N5O3S and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-cyclopentylacetamide
Also Known As: 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide, 2-(7-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-cyclopentylacetamide, 2-({2-butyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N-cyclopentylacetamide
| Molecular Formula | C19H27N5O3S |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 1.5207 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.18347 |
| Heavy Atoms | 28 |
| Complexity | 991.6974 |
Chemical Identifiers
| CAS Number | 893905-47-0 |
|---|---|
| SMILES | CCCCC1=NC2=C(C(=N1)SCC(=O)NC3CCCC3)C(=O)N(C(=O)N2C)C |
Product Overview
2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide (CAS 893905-47-0), with molecular formula C19H27N5O3S and molecular weight 405.18 g/mol. IUPAC: 2-(7-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-cyclopentylacetamide.
Chemical Property Profile of 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide
Property Insights of 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide
The XLogP value of 1.5207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide. Following Lipinski's Rule of Five, 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide 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 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide?
The CAS number of 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide is 893905-47-0.
What is the molecular formula of 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide?
The molecular formula of 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide is C19H27N5O3S.
What is the molecular weight of 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide?
The molecular weight of 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide is 405.18 g/mol.
Where can I buy 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide?
You can request a quote for 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-cyclopentylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.