![2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one structure](/static/products/879/879334-55-1.png)
2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one
TL;DR: 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one (CAS 879334-55-1) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethoxyanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one, 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 4.2809 |
| Topological Polar Surface Area | 76.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 1146.4535 |
Chemical Identifiers
| CAS Number | 879334-55-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)OC |
Product Overview
2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one (CAS 879334-55-1), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: 2-[(3,5-dimethoxyanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one
Property Insights of 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one
The XLogP value of 4.2809 indicates that 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one. Following Lipinski's Rule of Five, 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one has 2 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-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one?
The CAS number of 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one is 879334-55-1.
What is the molecular formula of 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one?
The molecular formula of 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one is C21H19N3O3S.
What is the molecular weight of 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one?
The molecular weight of 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one is 393.11 g/mol.
Where can I buy 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one?
You can request a quote for 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3,5-dimethoxyphenyl)amino]methyl}-5-phenyl-3-hydrothiopheno[2,3-d]pyrimid in-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.