![2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid structure](/static/products/4468/446830-35-9.webp)
2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
TL;DR: 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid (CAS 446830-35-9) is a chemical compound with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
Also Known As: AP-906/41744906, 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid, 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid, 2-[5-(3-nitrophenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]butanoic acid, 2-[9-(3-nitrophenyl)-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-3-yl]butanoic Acid
| Molecular Formula | C16H13N3O5S |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 3.0689 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0576 |
| Heavy Atoms | 25 |
| Complexity | 1039.6714 |
Chemical Identifiers
| CAS Number | 446830-35-9 |
|---|---|
| SMILES | CCC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid (CAS 446830-35-9), with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol. IUPAC: 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid.
Chemical Property Profile of 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
Property Insights of 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
The XLogP value of 3.0689 indicates that 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid. Following Lipinski's Rule of Five, 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid 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 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid?
The CAS number of 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid is 446830-35-9.
What is the molecular formula of 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid?
The molecular formula of 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid is C16H13N3O5S.
What is the molecular weight of 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid?
The molecular weight of 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid is 359.06 g/mol.
Where can I buy 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid?
You can request a quote for 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.