![(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate structure](/static/products/4033/40338-56-5.webp)
(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate
TL;DR: (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate (CAS 40338-56-5) is a chemical compound with molecular formula C13H9N3O5S and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate
Also Known As: (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate, 2,4-Dioxo-1,4-dihydropyrido[3,4-d]pyrimidin-3(2H)-yl benzenesulfonate
| Molecular Formula | C13H9N3O5S |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0263 |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 40338-56-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C=NC=C3)NC2=O |
| InChIKey | BFEJJYCYRJSPKZ-UHFFFAOYSA-N |
Product Overview
(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate (CAS 40338-56-5), with molecular formula C13H9N3O5S and molecular weight 319.03 g/mol. IUPAC: (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate.
Chemical Property Profile of (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate
Property Insights of (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate. Following Lipinski's Rule of Five, (2,4-dioxo-1H-pyrido[3,4-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-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate?
The CAS number of (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate is 40338-56-5.
What is the molecular formula of (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate?
The molecular formula of (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate is C13H9N3O5S.
What is the molecular weight of (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate?
The molecular weight of (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate is 319.03 g/mol.
Where can I buy (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate?
You can request a quote for (2,4-dioxo-1H-pyrido[3,4-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-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl) benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.