![2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid structure](/static/products/1185/1185293-78-0.webp)
2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid
TL;DR: 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid (CAS 1185293-78-0) is a chemical compound with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid
Also Known As: (4-Oxo-4H-thieno[2,3-d]pyrimidin-3-yl)-acetic acid, (4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid, 2-(4-Oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid, 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid, BB_SC-4126
| Molecular Formula | C8H6N2O3S |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 0.5426 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.00992 |
| Heavy Atoms | 14 |
| Complexity | 542.7551 |
Chemical Identifiers
| CAS Number | 1185293-78-0 |
|---|---|
| SMILES | C1=CSC2=C1C(=O)N(C=N2)CC(=O)O |
Product Overview
2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid (CAS 1185293-78-0), with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol. IUPAC: 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid.
Chemical Property Profile of 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid
Property Insights of 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid
The XLogP value of 0.5426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-oxo-3H,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 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid. Following Lipinski's Rule of Five, 2-{4-oxo-3H,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 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid?
The CAS number of 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid is 1185293-78-0.
What is the molecular formula of 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid?
The molecular formula of 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid is C8H6N2O3S.
What is the molecular weight of 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid?
The molecular weight of 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid is 210.01 g/mol.
Where can I buy 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid?
You can request a quote for 2-{4-oxo-3H,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 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.