![2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid structure](/static/products/845/845669-79-6.png)
2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid
TL;DR: 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid (CAS 845669-79-6) 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-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid
Also Known As: 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid, (1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)acetic acid, 2-(1,3-dimethyl-2,4-dioxo-5-phenyl-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)acetic acid, 2-(3,5-dimethyl-2,4-dioxo-9-phenyl-3,5,8-triazabicyclo[4.3.0]nona-6,9-dien-8-yl)acetic Acid
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 0.7903 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 1025.3905 |
Chemical Identifiers
| CAS Number | 845669-79-6 |
|---|---|
| SMILES | CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)CC(=O)O |
Product Overview
2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid (CAS 845669-79-6), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid.
Chemical Property Profile of 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid
Property Insights of 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid
The XLogP value of 0.7903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid has 1 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 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid?
The CAS number of 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid is 845669-79-6.
What is the molecular formula of 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid?
The molecular formula of 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid is C16H15N3O4.
What is the molecular weight of 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid?
The molecular weight of 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid is 313.11 g/mol.
Where can I buy 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid?
You can request a quote for 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.