1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-, methyl ester
TL;DR: 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-, methyl ester (CAS 53681-43-9) is a chemical compound with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,6-dimethyl-2,4-dioxo-1-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetate
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-, methyl ester, methyl 2-(3,6-dimethyl-2,4-dioxo-1-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetate, Methyl (3,6-dimethyl-2,4-dioxo-1-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetate, BRN 0846209, RefChem:240826
| Molecular Formula | C17H17N3O4 |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 1.04142 |
| Topological Polar Surface Area | 86.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.12192 |
| Heavy Atoms | 24 |
| Complexity | 1041.6134 |
Chemical Identifiers
| CAS Number | 53681-43-9 |
|---|---|
| SMILES | CC1=C(C2=C(N1)N(C(=O)N(C2=O)C)C3=CC=CC=C3)CC(=O)OC |
Product Overview
1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-, methyl ester (CAS 53681-43-9), with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol. IUPAC: methyl 2-(3,6-dimethyl-2,4-dioxo-1-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetate.
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-, methyl ester
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-, methyl ester
The XLogP value of 1.04142 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-, methyl ester. The TPSA of 86.09 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-, methyl ester. 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-, methyl ester has 1 hydrogen bond donor(s) and 4 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-, methyl ester?
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-, methyl ester is 53681-43-9.
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-, methyl ester?
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-, methyl ester is C17H17N3O4.
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-, methyl ester?
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-, methyl ester is 327.12 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-, methyl ester?
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-, methyl ester 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-, methyl ester?
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-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.