![3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid structure](/static/products/7742/774-22-1.webp)
3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
TL;DR: 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid (CAS 774-22-1) is a chemical compound with molecular formula C15H13ClN4O3 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
Also Known As: 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid, 3-(2-Amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propanoic acid, 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid, 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimid, 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
| Molecular Formula | C15H13ClN4O3 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.06763 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 774-22-1 |
|---|---|
| SMILES | C1C2=C(N=C(N=C2C(=O)N1CCC(=O)O)N)C3=CC=C(C=C3)Cl |
| InChIKey | DKAKXTMOKIYELP-UHFFFAOYSA-N |
Product Overview
3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid (CAS 774-22-1), with molecular formula C15H13ClN4O3 and molecular weight 332.07 g/mol. IUPAC: 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid.
Chemical Property Profile of 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
Property Insights of 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid has 2 hydrogen bond donor(s) and 6 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 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid?
The CAS number of 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid is 774-22-1.
What is the molecular formula of 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid?
The molecular formula of 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid is C15H13ClN4O3.
What is the molecular weight of 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid?
The molecular weight of 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid is 332.07 g/mol.
Where can I buy 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid?
You can request a quote for 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.