![[5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid structure](/static/products/4468/446830-86-0.webp)
[5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid
TL;DR: [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid (CAS 446830-86-0) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
Also Known As: BAS 03754638, 2-[5-(3,4-dimethylphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetic acid, [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid, 2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid, 2-(5-(3,4-Dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.82644 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 940.20416 |
Chemical Identifiers
| CAS Number | 446830-86-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)O)C |
Product Overview
[5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid (CAS 446830-86-0), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid.
Chemical Property Profile of [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid
Property Insights of [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid
The XLogP value of 2.82644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid. Following Lipinski's Rule of Five, [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid has 1 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 [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid?
The CAS number of [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid is 446830-86-0.
What is the molecular formula of [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid?
The molecular formula of [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid is C16H14N2O3S.
What is the molecular weight of [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid?
The molecular weight of [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid is 314.07 g/mol.
Where can I buy [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid?
You can request a quote for [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid 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-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [5-(3,4-Dimethyl-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.