methyl 4-(7H-purin-6-ylamino)benzoate
TL;DR: methyl 4-(7H-purin-6-ylamino)benzoate (CAS 6298-17-5) is a chemical compound with molecular formula C13H11N5O2 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(7H-purin-6-ylamino)benzoate
Also Known As: methyl 4-(7H-purin-6-ylamino)benzoate, methyl 4-(9H-purin-6-ylamino)benzoate, methyl 4-(purin-6-ylamino)benzoate, methyl 4-((9H-purin-6-yl)amino)benzoate, Methyl 4-[(7H-purin-6-yl)amino]benzoate
| Molecular Formula | C13H11N5O2 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.09128 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 6298-17-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3 |
| InChIKey | JOPIOMJDUNZNLC-UHFFFAOYSA-N |
Product Overview
methyl 4-(7H-purin-6-ylamino)benzoate (CAS 6298-17-5), with molecular formula C13H11N5O2 and molecular weight 269.09 g/mol. IUPAC: methyl 4-(7H-purin-6-ylamino)benzoate.
Chemical Property Profile of methyl 4-(7H-purin-6-ylamino)benzoate
Property Insights of methyl 4-(7H-purin-6-ylamino)benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(7H-purin-6-ylamino)benzoate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(7H-purin-6-ylamino)benzoate. Following Lipinski's Rule of Five, methyl 4-(7H-purin-6-ylamino)benzoate 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 methyl 4-(7H-purin-6-ylamino)benzoate?
The CAS number of methyl 4-(7H-purin-6-ylamino)benzoate is 6298-17-5.
What is the molecular formula of methyl 4-(7H-purin-6-ylamino)benzoate?
The molecular formula of methyl 4-(7H-purin-6-ylamino)benzoate is C13H11N5O2.
What is the molecular weight of methyl 4-(7H-purin-6-ylamino)benzoate?
The molecular weight of methyl 4-(7H-purin-6-ylamino)benzoate is 269.09 g/mol.
Where can I buy methyl 4-(7H-purin-6-ylamino)benzoate?
You can request a quote for methyl 4-(7H-purin-6-ylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(7H-purin-6-ylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(7H-purin-6-ylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.