N-Desmethyl Loperamide
TL;DR: N-Desmethyl Loperamide (CAS 1189488-17-2) is a chemical compound with molecular formula C28H31ClN2O2 and molecular weight 462.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamide
Also Known As: N-desmethyl loperamide, DESMETHYLLOPERAMIDE, DESMETHYL LOPERAMIDE, N-Desmethyl-loperamide, Loperamide metabolite M3
| Molecular Formula | C28H31ClN2O2 |
|---|---|
| Molecular Weight | 462.21 g/mol |
| LogP | 4.7458 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.2074 |
| Heavy Atoms | 33 |
| Complexity | 1006.7751 |
Chemical Identifiers
| CAS Number | 1189488-17-2 |
|---|---|
| SMILES | CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
N-Desmethyl Loperamide (CAS 1189488-17-2), with molecular formula C28H31ClN2O2 and molecular weight 462.21 g/mol. IUPAC: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamide.
Chemical Property Profile of N-Desmethyl Loperamide
Property Insights of N-Desmethyl Loperamide
The XLogP value of 4.7458 indicates that N-Desmethyl Loperamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.57 Ų, N-Desmethyl Loperamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethyl Loperamide has 2 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 N-Desmethyl Loperamide?
The CAS number of N-Desmethyl Loperamide is 1189488-17-2.
What is the molecular formula of N-Desmethyl Loperamide?
The molecular formula of N-Desmethyl Loperamide is C28H31ClN2O2.
What is the molecular weight of N-Desmethyl Loperamide?
The molecular weight of N-Desmethyl Loperamide is 462.21 g/mol.
Where can I buy N-Desmethyl Loperamide?
You can request a quote for N-Desmethyl Loperamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyl Loperamide?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyl Loperamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.