methyl 9H-purine-6-carboxylate
TL;DR: methyl 9H-purine-6-carboxylate (CAS 62134-45-6) is a chemical compound with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7H-purine-6-carboxylate
Also Known As: methyl 9H-purine-6-carboxylate, Methyl 7H-purine-6-carboxylate, methyl purine-6-carboxylate, methyl9H-purine-6-carboxylate, purine-6-caboxylic acid methyl ester
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 0.1395 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 450.44418 |
Chemical Identifiers
| CAS Number | 62134-45-6 |
|---|---|
| SMILES | COC(=O)C1=C2C(=NC=N1)N=CN2 |
Product Overview
methyl 9H-purine-6-carboxylate (CAS 62134-45-6), with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol. IUPAC: methyl 7H-purine-6-carboxylate.
Chemical Property Profile of methyl 9H-purine-6-carboxylate
Property Insights of methyl 9H-purine-6-carboxylate
The XLogP value of 0.1395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 9H-purine-6-carboxylate. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 9H-purine-6-carboxylate. Following Lipinski's Rule of Five, methyl 9H-purine-6-carboxylate has 1 hydrogen bond donor(s) and 5 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 9H-purine-6-carboxylate?
The CAS number of methyl 9H-purine-6-carboxylate is 62134-45-6.
What is the molecular formula of methyl 9H-purine-6-carboxylate?
The molecular formula of methyl 9H-purine-6-carboxylate is C7H6N4O2.
What is the molecular weight of methyl 9H-purine-6-carboxylate?
The molecular weight of methyl 9H-purine-6-carboxylate is 178.05 g/mol.
Where can I buy methyl 9H-purine-6-carboxylate?
You can request a quote for methyl 9H-purine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 9H-purine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 9H-purine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.