![4-[(7H-purin-6-ylamino)methyl]benzoic Acid structure](/static/products/1152/115280-83-6.webp)
4-[(7H-purin-6-ylamino)methyl]benzoic Acid
TL;DR: 4-[(7H-purin-6-ylamino)methyl]benzoic Acid (CAS 115280-83-6) is a chemical compound with molecular formula C13H11N5O2 and molecular weight 269.09128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(7H-purin-6-ylamino)methyl]benzoic acid
Also Known As: 4-[(7H-purin-6-ylamino)methyl]benzoic Acid, 4-[(9H-purin-6-ylamino)methyl]benzoic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11N5O2 |
| Molecular Weight | 269.09128 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.09128 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| SMILES | C1=CC(=CC=C1CNC2=NC=NC3=C2NC=N3)C(=O)O |
| InChIKey | VRXDOOJUONBFAW-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(7H-purin-6-ylamino)methyl]benzoic Acid
Property Insights of 4-[(7H-purin-6-ylamino)methyl]benzoic Acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(7H-purin-6-ylamino)methyl]benzoic Acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(7H-purin-6-ylamino)methyl]benzoic Acid. Following Lipinski's Rule of Five, 4-[(7H-purin-6-ylamino)methyl]benzoic Acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(7H-purin-6-ylamino)methyl]benzoic Acid?
The CAS number of 4-[(7H-purin-6-ylamino)methyl]benzoic Acid is 115280-83-6.
What is the molecular formula of 4-[(7H-purin-6-ylamino)methyl]benzoic Acid?
The molecular formula of 4-[(7H-purin-6-ylamino)methyl]benzoic Acid is C13H11N5O2.
What is the molecular weight of 4-[(7H-purin-6-ylamino)methyl]benzoic Acid?
The molecular weight of 4-[(7H-purin-6-ylamino)methyl]benzoic Acid is 269.09128 g/mol.
Where can I buy 4-[(7H-purin-6-ylamino)methyl]benzoic Acid?
You can request a quote for 4-[(7H-purin-6-ylamino)methyl]benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(7H-purin-6-ylamino)methyl]benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-[(7H-purin-6-ylamino)methyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.