Hydrocotarnine
TL;DR: Hydrocotarnine (CAS 550-10-7) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: Hydrocotarnine, Hydrocotarnin, Hydrocotarnine hydrobromide, Spectrum2_001393, Spectrum3_001433
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.1052 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.1052 Da |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
| Melting Point | 55.5 - 56.5 °C |
| SMILES | CN1CCC2=CC3=C(C(=C2C1)OC)OCO3 |
| InChIKey | XXANNZJIZQTCBP-UHFFFAOYSA-N |
Product Description
Applications: Hydrocotarnine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
A pharmaceutical intermediate supplied by CoreyChem, Hydrocotarnine (CAS 550-10-7) has the molecular formula C12H15NO3 and a molecular weight of 221.11 g/mol. Synonyms include Hydrocotarnine and Hydrocotarnin.
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 Hydrocotarnine
Property Insights of Hydrocotarnine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrocotarnine. With a topological polar surface area (TPSA) of 30.9 Ų, Hydrocotarnine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocotarnine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hydrocotarnine?
The CAS number of Hydrocotarnine is 550-10-7.
What is the molecular formula of Hydrocotarnine?
The molecular formula of Hydrocotarnine is C12H15NO3.
What is the molecular weight of Hydrocotarnine?
The molecular weight of Hydrocotarnine is 221.1052 g/mol.
What are the applications of Hydrocotarnine?
Hydrocotarnine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Hydrocotarnine?
You can request a quote for Hydrocotarnine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydrocotarnine?
Yes, CoreyChem provides custom synthesis services for Hydrocotarnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.