LY-79771 free base
TL;DR: LY-79771 free base (CAS 74248-95-6) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]phenol
Also Known As: LY-79771 free base, 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]phenol, 4-[3-[(2-hydroxy-2-phenyl-ethyl)amino]butyl]phenol, 4-((S)-3-(((R)-2-hydroxy-2-phenylethyl)amino)butyl)phenol, 4-[(3S)-3-{[(2R)-2-hydroxy-2-phenylethyl]amino}butyl]phenol
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 74248-95-6 |
|---|---|
| SMILES | C[C@@H](CCC1=CC=C(C=C1)O)NC[C@@H](C2=CC=CC=C2)O |
| InChIKey | APNAMANVPJZNEW-KSSFIOAISA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
LY-79771 free base (CAS 74248-95-6), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]phenol.
Chemical Property Profile of LY-79771 free base
Property Insights of LY-79771 free base
The XLogP value of 3.7 indicates that LY-79771 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, LY-79771 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LY-79771 free base has 3 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 LY-79771 free base?
The CAS number of LY-79771 free base is 74248-95-6.
What is the molecular formula of LY-79771 free base?
The molecular formula of LY-79771 free base is C18H23NO2.
What is the molecular weight of LY-79771 free base?
The molecular weight of LY-79771 free base is 285.17 g/mol.
Where can I buy LY-79771 free base?
You can request a quote for LY-79771 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY-79771 free base?
Yes, KEHONG BIO provides custom synthesis services for LY-79771 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.