Trecetilide
TL;DR: Trecetilide (CAS 180918-68-7) is a chemical compound with molecular formula C21H37FN2O3S and molecular weight 416.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(1S)-4-[ethyl-(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
Also Known As: Trecetilide, trecetilida, trecetilidum, Trecetilide [INN], Trecetilide (INN)
| Molecular Formula | C21H37FN2O3S |
|---|---|
| Molecular Weight | 416.25 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 416.2509 |
| Heavy Atoms | 28 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 180918-68-7 |
|---|---|
| SMILES | CCN(CCCCCC(C)(C)F)CCC[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)O |
| InChIKey | RPQUKWBLAHJOPX-FQEVSTJZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trecetilide (CAS 180918-68-7), with molecular formula C21H37FN2O3S and molecular weight 416.25 g/mol. IUPAC: N-[4-[(1S)-4-[ethyl-(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide.
Chemical Property Profile of Trecetilide
Property Insights of Trecetilide
The XLogP value of 3.5 indicates that Trecetilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trecetilide. Following Lipinski's Rule of Five, Trecetilide has 2 hydrogen bond donor(s) and 6 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 Trecetilide?
The CAS number of Trecetilide is 180918-68-7.
What is the molecular formula of Trecetilide?
The molecular formula of Trecetilide is C21H37FN2O3S.
What is the molecular weight of Trecetilide?
The molecular weight of Trecetilide is 416.25 g/mol.
Where can I buy Trecetilide?
You can request a quote for Trecetilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trecetilide?
Yes, KEHONG BIO provides custom synthesis services for Trecetilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.