Neomestine
TL;DR: Neomestine (CAS 13115-40-7) is a chemical compound with molecular formula C20H29N3O5S3 and molecular weight 487.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide;methanesulfonic acid
Also Known As: Neomestine, Calsekin, Yoristen, Bonpac, Promaquid
| Molecular Formula | C20H29N3O5S3 |
|---|---|
| Molecular Weight | 487.13 g/mol |
| LogP | 2.99 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.12692 |
| Heavy Atoms | 31 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 13115-40-7 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neomestine (CAS 13115-40-7), with molecular formula C20H29N3O5S3 and molecular weight 487.13 g/mol. IUPAC: 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide;methanesulfonic acid.
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
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 487.13 g/mol.
Where can I buy Neomestine?
You can request a quote for Neomestine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neomestine?
Yes, KEHONG BIO provides custom synthesis services for Neomestine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.