2-imino-3-methyl-4aH-pteridin-4-one
TL;DR: 2-imino-3-methyl-4aH-pteridin-4-one (CAS 941-90-2) is a chemical compound with molecular formula C7H7N5O and molecular weight 177.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-imino-3-methyl-4aH-pteridin-4-one
Also Known As: 2-imino-3-methyl-4aH-pteridin-4-one
| Molecular Formula | C7H7N5O |
|---|---|
| Molecular Weight | 177.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.06506 |
| Heavy Atoms | 13 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 941-90-2 |
|---|---|
| SMILES | CN1C(=O)C2C(=NC1=N)N=CC=N2 |
| InChIKey | YNMNKYQCONUCNO-UHFFFAOYSA-N |
Product Overview
2-imino-3-methyl-4aH-pteridin-4-one (CAS 941-90-2), with molecular formula C7H7N5O and molecular weight 177.07 g/mol. IUPAC: 2-imino-3-methyl-4aH-pteridin-4-one.
Chemical Property Profile of 2-imino-3-methyl-4aH-pteridin-4-one
Property Insights of 2-imino-3-methyl-4aH-pteridin-4-one
The XLogP value of -0.9 indicates that 2-imino-3-methyl-4aH-pteridin-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-imino-3-methyl-4aH-pteridin-4-one. Following Lipinski's Rule of Five, 2-imino-3-methyl-4aH-pteridin-4-one has 1 hydrogen bond donor(s) and 3 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 2-imino-3-methyl-4aH-pteridin-4-one?
The CAS number of 2-imino-3-methyl-4aH-pteridin-4-one is 941-90-2.
What is the molecular formula of 2-imino-3-methyl-4aH-pteridin-4-one?
The molecular formula of 2-imino-3-methyl-4aH-pteridin-4-one is C7H7N5O.
What is the molecular weight of 2-imino-3-methyl-4aH-pteridin-4-one?
The molecular weight of 2-imino-3-methyl-4aH-pteridin-4-one is 177.07 g/mol.
Where can I buy 2-imino-3-methyl-4aH-pteridin-4-one?
You can request a quote for 2-imino-3-methyl-4aH-pteridin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-imino-3-methyl-4aH-pteridin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-3-methyl-4aH-pteridin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.