LY 117413
TL;DR: LY 117413 (CAS 88064-74-8) is a chemical compound with molecular formula C22H29NO2 and molecular weight 339.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(3-hydroxy-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
Also Known As: Lilly 117413, 1-Piperidinepropanol, 4-(3-hydroxyphenyl)-3,4-dimethyl-alpha-phenyl-, 3-[1-(3-hydroxy-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol, 1,4-Benzenediol,acetate 4-methylbenzenesulfonate, 4-(3-Hydroxyphenyl)-3,4-dimethyl-alpha-phenyl-1-piperidinepropanol
| Molecular Formula | C22H29NO2 |
|---|---|
| Molecular Weight | 339.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.21982 |
| Heavy Atoms | 25 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 88064-74-8 |
|---|---|
| SMILES | CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(C3=CC=CC=C3)O |
| InChIKey | YJQIKSUIZIHGOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
LY 117413 (CAS 88064-74-8), with molecular formula C22H29NO2 and molecular weight 339.22 g/mol. IUPAC: 3-[1-(3-hydroxy-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol.
Chemical Property Profile of LY 117413
Property Insights of LY 117413
The XLogP value of 4.3 indicates that LY 117413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, LY 117413 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LY 117413 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 LY 117413?
The CAS number of LY 117413 is 88064-74-8.
What is the molecular formula of LY 117413?
The molecular formula of LY 117413 is C22H29NO2.
What is the molecular weight of LY 117413?
The molecular weight of LY 117413 is 339.22 g/mol.
Where can I buy LY 117413?
You can request a quote for LY 117413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 117413?
Yes, KEHONG BIO provides custom synthesis services for LY 117413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.