Neomestine
TL;DR: Neomestine (CAS 13115-40-7) is a chemical compound with molecular formula C20H29N3O5S3 and molecular weight 487.12692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide;methanesulfonic acid
Also Known As: Neomestine, Calsekin, Yoristen, Bonpac, Promaquid
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H29N3O5S3 |
| Molecular Weight | 487.12692 g/mol |
| XLogP | 2.99 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.12692 Da |
| Heavy Atoms | 31 |
| Complexity | 668.0 |
| SMILES | CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C)N(C)C.CS(=O)(=O)O |
| InChIKey | JGKVKXPDDVRUKC-UHFFFAOYSA-N |
Chemical Property Profile of Neomestine
Property Insights of Neomestine
The XLogP value of 2.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neomestine. The TPSA of 140.0 Ų indicates high polarity, suggesting Neomestine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neomestine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Neomestine?
The CAS number of Neomestine is 13115-40-7.
What is the molecular formula of Neomestine?
The molecular formula of Neomestine is C20H29N3O5S3.
What is the molecular weight of Neomestine?
The molecular weight of Neomestine is 487.12692 g/mol.
Where can I buy Neomestine?
You can request a quote for Neomestine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neomestine?
Yes, CoreyChem provides custom synthesis services for Neomestine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.