Tolvaptan
TL;DR: Tolvaptan (CAS 331947-44-5) is a chemical compound with molecular formula C26H25ClN2O3 and molecular weight 448.15536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Also Known As: Tolvaptan, Samsca, jinarc, tolvaptanum, (R)-(+)-Tolvaptan
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H25ClN2O3 |
| Molecular Weight | 448.15536 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.15536 Da |
| Heavy Atoms | 32 |
| Complexity | 673.0 |
| Melting Point | 225.9 °C |
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C |
| InChIKey | GYHCTFXIZSNGJT-UHFFFAOYSA-N |
Product Description
Applications: Tolvaptan 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).
Tolvaptan (CAS 331947-44-5) is a pharmaceutical intermediate with the molecular formula C26H25ClN2O3 and a molecular weight of 448.16 g/mol. Synonyms include Tolvaptan and Samsca.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Tolvaptan
Property Insights of Tolvaptan
The XLogP value of 4.8 indicates that Tolvaptan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Tolvaptan. Following Lipinski's Rule of Five, Tolvaptan has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tolvaptan?
The CAS number of Tolvaptan is 331947-44-5.
What is the molecular formula of Tolvaptan?
The molecular formula of Tolvaptan is C26H25ClN2O3.
What is the molecular weight of Tolvaptan?
The molecular weight of Tolvaptan is 448.15536 g/mol.
What are the applications of Tolvaptan?
Tolvaptan 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 Tolvaptan?
You can request a quote for Tolvaptan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tolvaptan?
Yes, CoreyChem provides custom synthesis services for Tolvaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.