![5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/3792/379250-24-5.webp)
5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 379250-24-5) is a chemical compound with molecular formula C25H21N3OS and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzylphenyl)-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-d]pyrimidin-4-one
Also Known As: 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one, AF-399/40714329, 5-(4-benzylphenyl)-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H21N3OS |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 5.44554 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.14053 |
| Heavy Atoms | 30 |
| Complexity | 1372.8969 |
Chemical Identifiers
| CAS Number | 379250-24-5 |
|---|---|
| SMILES | CC1=CC=C(N1N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)CC5=CC=CC=C5)C |
Product Overview
5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 379250-24-5), with molecular formula C25H21N3OS and molecular weight 411.14 g/mol. IUPAC: 5-(4-benzylphenyl)-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.44554 indicates that 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is 379250-24-5.
What is the molecular formula of 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is C25H21N3OS.
What is the molecular weight of 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is 411.14 g/mol.
Where can I buy 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-benzylphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.