![5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one structure](/static/products/6877/6877-17-4.webp)
5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
TL;DR: 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (CAS 6877-17-4) is a chemical compound with molecular formula C21H25N4O4S+ and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
Also Known As: 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one, 4-{[5-(3,4-dimethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}-1-methylpiperazin-1-ium
| Molecular Formula | C21H25N4O4S+ |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 0.4991 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.15964 |
| Heavy Atoms | 30 |
| Complexity | 1131.727 |
Chemical Identifiers
| CAS Number | 6877-17-4 |
|---|---|
| SMILES | C[NH+]1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=C(C=C4)OC)OC |
Product Overview
5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (CAS 6877-17-4), with molecular formula C21H25N4O4S+ and molecular weight 429.16 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
Property Insights of 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 0.4991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one 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 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is 6877-17-4.
What is the molecular formula of 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is C21H25N4O4S+.
What is the molecular weight of 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is 429.16 g/mol.
Where can I buy 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.