Saredutant
TL;DR: Saredutant (CAS 142001-63-6) is a chemical compound with molecular formula C31H35Cl2N3O2 and molecular weight 551.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
Also Known As: Saredutant, saredutantum, Saredutant [INN], [3H]saredutant, SAREDUTANT [WHO-DD]
| Molecular Formula | C31H35Cl2N3O2 |
|---|---|
| Molecular Weight | 551.21 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 551.21063 |
| Heavy Atoms | 38 |
| Complexity | 760.0 |
Chemical Identifiers
| CAS Number | 142001-63-6 |
|---|---|
| SMILES | CC(=O)NC1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4 |
| InChIKey | PGKXDIMONUAMFR-AREMUKBSSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Saredutant (CAS 142001-63-6), with molecular formula C31H35Cl2N3O2 and molecular weight 551.21 g/mol. IUPAC: N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide.
Chemical Property Profile of Saredutant
Property Insights of Saredutant
The XLogP value of 5.9 indicates that Saredutant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, Saredutant exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Saredutant has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Saredutant?
The CAS number of Saredutant is 142001-63-6.
What is the molecular formula of Saredutant?
The molecular formula of Saredutant is C31H35Cl2N3O2.
What is the molecular weight of Saredutant?
The molecular weight of Saredutant is 551.21 g/mol.
Where can I buy Saredutant?
You can request a quote for Saredutant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saredutant?
Yes, KEHONG BIO provides custom synthesis services for Saredutant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.