1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-
TL;DR: 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl- (CAS 53681-44-0) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3,6-trimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid
Also Known As: 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-, 2,3,4,7-Tetrahydro-2,4-dioxo-1,3,6-trimethyl-1H-pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2-(1,3,6-trimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid, (1,3,6-Trimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid, BRN 0814194
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | -0.49918 |
| Topological Polar Surface Area | 97.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 763.15704 |
Chemical Identifiers
| CAS Number | 53681-44-0 |
|---|---|
| SMILES | CC1=C(C2=C(N1)N(C(=O)N(C2=O)C)C)CC(=O)O |
Product Overview
1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl- (CAS 53681-44-0), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: 2-(1,3,6-trimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid.
Chemical Property Profile of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-
Property Insights of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-
The XLogP value of -0.49918 indicates that 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-. Following Lipinski's Rule of Five, 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl- has 2 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(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-?
The CAS number of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl- is 53681-44-0.
What is the molecular formula of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-?
The molecular formula of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl- is C11H13N3O4.
What is the molecular weight of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-?
The molecular weight of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl- is 251.09 g/mol.
Where can I buy 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-?
You can request a quote for 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.