1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-
TL;DR: 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl- (CAS 53681-45-1) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,6-dimethyl-2,4-dioxo-1-phenyl-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-3,6-dimethyl-2,4-dioxo-1-phenyl-, 3,6-Dimethyl-2,4-dioxo-1-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2-(3,6-dimethyl-2,4-dioxo-1-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid, (3,6-Dimethyl-2,4-dioxo-1-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid, BRN 0840880
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 0.95302 |
| Topological Polar Surface Area | 97.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 1025.3905 |
Chemical Identifiers
| CAS Number | 53681-45-1 |
|---|---|
| SMILES | CC1=C(C2=C(N1)N(C(=O)N(C2=O)C)C3=CC=CC=C3)CC(=O)O |
Product Overview
1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl- (CAS 53681-45-1), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: 2-(3,6-dimethyl-2,4-dioxo-1-phenyl-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-3,6-dimethyl-2,4-dioxo-1-phenyl-
Property Insights of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-
The XLogP value of 0.95302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-. 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-3,6-dimethyl-2,4-dioxo-1-phenyl-. Following Lipinski's Rule of Five, 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl- 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-3,6-dimethyl-2,4-dioxo-1-phenyl-?
The CAS number of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl- is 53681-45-1.
What is the molecular formula of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-?
The molecular formula of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl- is C16H15N3O4.
What is the molecular weight of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-?
The molecular weight of 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl- is 313.11 g/mol.
Where can I buy 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-?
You can request a quote for 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-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(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.