Etrabamine
TL;DR: Etrabamine (CAS 70590-58-8) is a chemical compound with molecular formula C8H12N2S and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
Also Known As: Etrabamine, Etrabamina, Etrabaminum, Etrabamine [INN], Etrabaminum [INN-Latin]
| Molecular Formula | C8H12N2S |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07211 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 70590-58-8 |
|---|---|
| SMILES | CNC1CCC2=C(C1)SC=N2 |
| InChIKey | YDSVAKPJAOSZJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etrabamine (CAS 70590-58-8), with molecular formula C8H12N2S and molecular weight 168.07 g/mol. IUPAC: N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
Chemical Property Profile of Etrabamine
Property Insights of Etrabamine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etrabamine. With a topological polar surface area (TPSA) of 53.2 Ų, Etrabamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etrabamine has 1 hydrogen bond donor(s) and 3 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 Etrabamine?
The CAS number of Etrabamine is 70590-58-8.
What is the molecular formula of Etrabamine?
The molecular formula of Etrabamine is C8H12N2S.
What is the molecular weight of Etrabamine?
The molecular weight of Etrabamine is 168.07 g/mol.
Where can I buy Etrabamine?
You can request a quote for Etrabamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etrabamine?
Yes, KEHONG BIO provides custom synthesis services for Etrabamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.