3-Methylguanine
TL;DR: 3-Methylguanine (CAS 2958-98-7) is a chemical compound with molecular formula C6H7N5O and molecular weight 165.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-methyl-7H-purin-6-one
Also Known As: 3-Methylguanine, N3-Methylguanine, Guanine, 3-methyl-, N(3)-methylguanine, 3-MeG
| Molecular Formula | C6H7N5O |
|---|---|
| Molecular Weight | 165.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.06506 |
| Heavy Atoms | 12 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 2958-98-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N=C1N)NC=N2 |
| InChIKey | XHBSBNYEHDQRCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylguanine (CAS 2958-98-7), with molecular formula C6H7N5O and molecular weight 165.07 g/mol. IUPAC: 2-amino-3-methyl-7H-purin-6-one.
Chemical Property Profile of 3-Methylguanine
Property Insights of 3-Methylguanine
The XLogP value of -0.9 indicates that 3-Methylguanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylguanine. Following Lipinski's Rule of Five, 3-Methylguanine has 2 hydrogen bond donor(s) and 2 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-Methylguanine?
The CAS number of 3-Methylguanine is 2958-98-7.
What is the molecular formula of 3-Methylguanine?
The molecular formula of 3-Methylguanine is C6H7N5O.
What is the molecular weight of 3-Methylguanine?
The molecular weight of 3-Methylguanine is 165.07 g/mol.
Where can I buy 3-Methylguanine?
You can request a quote for 3-Methylguanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylguanine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylguanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.