![(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate structure](/static/products/5322/53229-50-8.webp)
(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate
TL;DR: (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate (CAS 53229-50-8) is a chemical compound with molecular formula C12H8N2O5S2 and molecular weight 323.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate
Also Known As: (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate, 3-benzenesulfonyloxy-1H-thieno[3,2-d]pyrimidine-2,4-dione, 2,4-Dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl benzenesulfonate
| Molecular Formula | C12H8N2O5S2 |
|---|---|
| Molecular Weight | 323.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.98746 |
| Heavy Atoms | 21 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 53229-50-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C=CS3)NC2=O |
| InChIKey | SZJAARPHCUAZOM-UHFFFAOYSA-N |
Product Overview
(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate (CAS 53229-50-8), with molecular formula C12H8N2O5S2 and molecular weight 323.99 g/mol. IUPAC: (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate.
Chemical Property Profile of (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate
Property Insights of (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate. Following Lipinski's Rule of Five, (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate 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 (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate?
The CAS number of (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate is 53229-50-8.
What is the molecular formula of (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate?
The molecular formula of (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate is C12H8N2O5S2.
What is the molecular weight of (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate?
The molecular weight of (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate is 323.99 g/mol.
Where can I buy (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate?
You can request a quote for (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl) benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.