LY 135114
TL;DR: LY 135114 (CAS 126254-82-8) is a chemical compound with molecular formula C20H26N2O3 and molecular weight 342.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methylbutyl]benzamide
Also Known As: LY 135114 (free base), Benzamide, 3-(3-((2-hydroxy-2-(4-hydroxyphenyl)ethyl)amino)-3-methylbutyl)-, (+-)-, 3-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methylbutyl]benzamide, 3-(3-{[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]amino}-3-methylbutyl)benzene-1-carboximidic acid, RefChem:154467
| Molecular Formula | C20H26N2O3 |
|---|---|
| Molecular Weight | 342.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.19434 |
| Heavy Atoms | 25 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 126254-82-8 |
|---|---|
| SMILES | CC(C)(CCC1=CC(=CC=C1)C(=O)N)NCC(C2=CC=C(C=C2)O)O |
| InChIKey | SJRYBUHQSRYJMB-UHFFFAOYSA-N |
Product Overview
LY 135114 (CAS 126254-82-8), with molecular formula C20H26N2O3 and molecular weight 342.19 g/mol. IUPAC: 3-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methylbutyl]benzamide.
Chemical Property Profile of LY 135114
Property Insights of LY 135114
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LY 135114. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for LY 135114. Following Lipinski's Rule of Five, LY 135114 has 4 hydrogen bond donor(s) and 4 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 135114?
The CAS number of LY 135114 is 126254-82-8.
What is the molecular formula of LY 135114?
The molecular formula of LY 135114 is C20H26N2O3.
What is the molecular weight of LY 135114?
The molecular weight of LY 135114 is 342.19 g/mol.
Where can I buy LY 135114?
You can request a quote for LY 135114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 135114?
Yes, KEHONG BIO provides custom synthesis services for LY 135114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.