Asimadoline
TL;DR: Asimadoline (CAS 185951-07-9) is a chemical compound with molecular formula C27H30N2O2 and molecular weight 414.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide
Also Known As: Asimadoline, asimadolina, Asimadoline HCl, Asimadoline [INN], asimadolinum
| Molecular Formula | C27H30N2O2 |
|---|---|
| Molecular Weight | 414.23 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.23074 |
| Heavy Atoms | 31 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 185951-07-9 |
|---|---|
| SMILES | CN([C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | JHLHNYVMZCADTC-LOSJGSFVSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Asimadoline (CAS 185951-07-9), with molecular formula C27H30N2O2 and molecular weight 414.23 g/mol. IUPAC: N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide.
Chemical Property Profile of Asimadoline
Property Insights of Asimadoline
The XLogP value of 4.1 indicates that Asimadoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, Asimadoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Asimadoline 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 Asimadoline?
The CAS number of Asimadoline is 185951-07-9.
What is the molecular formula of Asimadoline?
The molecular formula of Asimadoline is C27H30N2O2.
What is the molecular weight of Asimadoline?
The molecular weight of Asimadoline is 414.23 g/mol.
Where can I buy Asimadoline?
You can request a quote for Asimadoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asimadoline?
Yes, KEHONG BIO provides custom synthesis services for Asimadoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.