2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-
TL;DR: 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)- (CAS 42920-40-1) is a chemical compound with molecular formula C13H10N4O5S and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dioxopteridin-1-yl) 4-methylbenzenesulfonate
Also Known As: KST-1B4239, 1-(4-methylphenyl)sulfonyloxypteridine-2,4-dione, 1-{[(4-methylphenyl)sulfonyl]oxy}pteridine-2,4(1h,3h)-dione, (2,4-dioxopteridin-1-yl) 4-methylbenzenesulfonate, 1-(toluene-4-sulfonyloxy)-1H-pteridine-2,4-dione
| Molecular Formula | C13H10N4O5S |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0372 |
| Heavy Atoms | 23 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 42920-40-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)ON2C3=NC=CN=C3C(=O)NC2=O |
| InChIKey | AUAFLOAURLQBBV-UHFFFAOYSA-N |
Product Overview
2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)- (CAS 42920-40-1), with molecular formula C13H10N4O5S and molecular weight 334.04 g/mol. IUPAC: (2,4-dioxopteridin-1-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-
Property Insights of 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)- has 1 hydrogen bond donor(s) and 7 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(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-?
The CAS number of 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)- is 42920-40-1.
What is the molecular formula of 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-?
The molecular formula of 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)- is C13H10N4O5S.
What is the molecular weight of 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-?
The molecular weight of 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)- is 334.04 g/mol.
Where can I buy 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-?
You can request a quote for 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.