![4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid structure](/static/products/7442/744204-83-9.webp)
4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid
TL;DR: 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid (CAS 744204-83-9) is a chemical compound with molecular formula C19H12N2O3S and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid
Also Known As: 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid, 4-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)benzoic acid, 4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid, 4-(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid, 4-(4-oxo-5-phenyl-3H,4H-thieno(2,3-d)pyrimidin-2-yl)benzoic acid
| Molecular Formula | C19H12N2O3S |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 4.0168 |
| Topological Polar Surface Area | 83.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.05685 |
| Heavy Atoms | 25 |
| Complexity | 1129.0181 |
Chemical Identifiers
| CAS Number | 744204-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C4=CC=C(C=C4)C(=O)O |
Product Overview
4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid (CAS 744204-83-9), with molecular formula C19H12N2O3S and molecular weight 348.06 g/mol. IUPAC: 4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid.
Chemical Property Profile of 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid
Property Insights of 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid
The XLogP value of 4.0168 indicates that 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid has 2 hydrogen bond donor(s) and 4 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 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid?
The CAS number of 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid is 744204-83-9.
What is the molecular formula of 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid?
The molecular formula of 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid is C19H12N2O3S.
What is the molecular weight of 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid?
The molecular weight of 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid is 348.06 g/mol.
Where can I buy 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid?
You can request a quote for 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.