1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-
TL;DR: 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl- (CAS 57436-27-8) is a chemical compound with molecular formula C13H9N3O4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-7-phenyl-1,6-dihydropyrrolo[3,4-d]pyrimidine-5-carboxylic acid
Also Known As: 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-, 7-Phenyl-5-carboxy-6H-pyrrolo(3,4-d)pyrimidin-2(1H),4(3H)-dione, 2,4-dioxo-7-phenyl-1,6-dihydropyrrolo[3,4-d]pyrimidine-5-carboxylic acid, 2,4-Dioxo-7-phenyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-5-carboxylic acid, BRN 0757134
| Molecular Formula | C13H9N3O4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 0.9097 |
| Topological Polar Surface Area | 118.81 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0593 |
| Heavy Atoms | 20 |
| Complexity | 918.1795 |
Chemical Identifiers
| CAS Number | 57436-27-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C(=C(N2)C(=O)O)C(=O)NC(=O)N3 |
Product Overview
1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl- (CAS 57436-27-8), with molecular formula C13H9N3O4 and molecular weight 271.06 g/mol. IUPAC: 2,4-dioxo-7-phenyl-1,6-dihydropyrrolo[3,4-d]pyrimidine-5-carboxylic acid.
Chemical Property Profile of 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-
Property Insights of 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-
The XLogP value of 0.9097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-. The TPSA of 118.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-. Following Lipinski's Rule of Five, 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl- has 4 hydrogen bond donor(s) and 3 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 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-?
The CAS number of 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl- is 57436-27-8.
What is the molecular formula of 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-?
The molecular formula of 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl- is C13H9N3O4.
What is the molecular weight of 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-?
The molecular weight of 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl- is 271.06 g/mol.
Where can I buy 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-?
You can request a quote for 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.