![3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/5322/53229-52-0.webp)
3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione (CAS 53229-52-0) 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[3,4-d]pyrimidin-3-yl) benzenesulfonate
Also Known As: (2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl) benzenesulfonate, 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione, 3-benzenesulfonyloxy-1H-thieno[3,4-d]pyrimidine-2,4-dione, 2,4-Dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl benzenesulfonate
| Molecular Formula | C12H8N2O5S2 |
|---|---|
| Molecular Weight | 323.99 g/mol |
| LogP | 1.5 |
| 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 | 53229-52-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CSC=C3NC2=O |
| InChIKey | UZXRYNHPBXXCEC-UHFFFAOYSA-N |
Product Overview
3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione (CAS 53229-52-0), with molecular formula C12H8N2O5S2 and molecular weight 323.99 g/mol. IUPAC: (2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl) benzenesulfonate.
Chemical Property Profile of 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione 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 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione is 53229-52-0.
What is the molecular formula of 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione is C12H8N2O5S2.
What is the molecular weight of 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione is 323.99 g/mol.
Where can I buy 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Benzenesulfonyl)oxy]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.