N-Desmethyleclanamine
TL;DR: N-Desmethyleclanamine (CAS 116271-40-0) is a chemical compound with molecular formula C15H20Cl2N2O and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(methylamino)cyclopentyl]propanamide
Also Known As: N-Desmethyleclanamine, N-Demethyleclanamine, N-Desmonomethyleclanamine, N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(methylamino)cyclopentyl]propanamide, Propanamide, N-(3,4-dichlorophenyl)-N-(2-(methylamino)cyclopentyl)-, trans-(+-)-
| Molecular Formula | C15H20Cl2N2O |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 3.8769 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.09528 |
| Heavy Atoms | 20 |
| Complexity | 492.7619 |
Chemical Identifiers
| CAS Number | 116271-40-0 |
|---|---|
| SMILES | CCC(=O)N([C@@H]1CCC[C@H]1NC)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
N-Desmethyleclanamine (CAS 116271-40-0), with molecular formula C15H20Cl2N2O and molecular weight 314.10 g/mol. IUPAC: N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(methylamino)cyclopentyl]propanamide.
Chemical Property Profile of N-Desmethyleclanamine
Property Insights of N-Desmethyleclanamine
The XLogP value of 3.8769 indicates that N-Desmethyleclanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, N-Desmethyleclanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethyleclanamine has 1 hydrogen bond donor(s) and 2 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 N-Desmethyleclanamine?
The CAS number of N-Desmethyleclanamine is 116271-40-0.
What is the molecular formula of N-Desmethyleclanamine?
The molecular formula of N-Desmethyleclanamine is C15H20Cl2N2O.
What is the molecular weight of N-Desmethyleclanamine?
The molecular weight of N-Desmethyleclanamine is 314.10 g/mol.
Where can I buy N-Desmethyleclanamine?
You can request a quote for N-Desmethyleclanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyleclanamine?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyleclanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.