Homarine
TL;DR: Homarine (CAS 445-30-7) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylpyridin-1-ium-2-carboxylate
Also Known As: Homarine, Homarine-d3, 1-methylpyridin-1-ium-2-carboxylate, Betaine homarine, n-methylpicolinic acid
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.04768 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.04768 Da |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
| SMILES | C[N+]1=CC=CC=C1C(=O)[O-] |
| InChIKey | BRTLKRNVNFIOPJ-UHFFFAOYSA-N |
Product Description
Applications: Homarine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Homarine (CAS 445-30-7) is a heterocyclic building block with the molecular formula C7H7NO2 and a molecular weight of 137.05 g/mol. Synonyms include Homarine and Homarine-d3.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Homarine
Property Insights of Homarine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homarine. With a topological polar surface area (TPSA) of 44.0 Ų, Homarine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Homarine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Homarine?
The CAS number of Homarine is 445-30-7.
What is the molecular formula of Homarine?
The molecular formula of Homarine is C7H7NO2.
What is the molecular weight of Homarine?
The molecular weight of Homarine is 137.04768 g/mol.
What are the applications of Homarine?
Homarine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Homarine?
You can request a quote for Homarine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Homarine?
Yes, CoreyChem provides custom synthesis services for Homarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.