Mallorepine
TL;DR: Mallorepine (CAS 767-98-6) is a chemical compound with molecular formula C7H6N2O and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-oxopyridine-3-carbonitrile
Also Known As: Mallorepine, 3-Cyano-1-methyl-4-pyridone, 1-methyl-4-oxopyridine-3-carbonitrile, 1-Methyl-4-oxo-1,4-dihydropyridine-3-carbonitrile, 1-methyl-3-cyano-4-pyridone
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 767-98-6 |
|---|---|
| SMILES | CN1C=CC(=O)C(=C1)C#N |
| InChIKey | VVNHMAOQCMDJHT-UHFFFAOYSA-N |
Product Overview
Mallorepine (CAS 767-98-6), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 1-methyl-4-oxopyridine-3-carbonitrile.
Chemical Property Profile of Mallorepine
Property Insights of Mallorepine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mallorepine. With a topological polar surface area (TPSA) of 44.1 Ų, Mallorepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mallorepine has 0 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 Mallorepine?
The CAS number of Mallorepine is 767-98-6.
What is the molecular formula of Mallorepine?
The molecular formula of Mallorepine is C7H6N2O.
What is the molecular weight of Mallorepine?
The molecular weight of Mallorepine is 134.05 g/mol.
Where can I buy Mallorepine?
You can request a quote for Mallorepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mallorepine?
Yes, KEHONG BIO provides custom synthesis services for Mallorepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.