![N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide structure](/static/products/852/852168-46-8.png)
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide (CAS 852168-46-8) is a chemical compound with molecular formula C21H25N5O5S and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide, 2-[(2,4-diketo-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-homoveratryl-acetamide, N-(3,4-dimethoxyphenethyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1,3,7-trimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]acetamide
| Molecular Formula | C21H25N5O5S |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 0.80382 |
| Topological Polar Surface Area | 117.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.15765 |
| Heavy Atoms | 32 |
| Complexity | 1284.2812 |
Chemical Identifiers
| CAS Number | 852168-46-8 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)N(C(=O)N2C)C |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide (CAS 852168-46-8), with molecular formula C21H25N5O5S and molecular weight 459.16 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
The XLogP value of 0.80382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide. The TPSA of 117.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide has 1 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 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide is 852168-46-8.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide is C21H25N5O5S.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide is 459.16 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.