PHENETHIPYLONE
TL;DR: PHENETHIPYLONE (CAS 63676-25-5) is a chemical compound with molecular formula C27H25NO4S and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Also Known As: PHENETHIPYLONE, Lilly 117018, (S)-(-)-3-(Acetylthio)Isobutyricacid, SID:53789676, Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-
| Molecular Formula | C27H25NO4S |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.15042 |
| Heavy Atoms | 33 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 63676-25-5 |
|---|---|
| SMILES | C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O |
| InChIKey | JLERVPBPJHKRBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PHENETHIPYLONE (CAS 63676-25-5), with molecular formula C27H25NO4S and molecular weight 459.15 g/mol. IUPAC: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone.
Chemical Property Profile of PHENETHIPYLONE
Property Insights of PHENETHIPYLONE
The XLogP value of 5.7 indicates that PHENETHIPYLONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for PHENETHIPYLONE. Following Lipinski's Rule of Five, PHENETHIPYLONE has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PHENETHIPYLONE?
The CAS number of PHENETHIPYLONE is 63676-25-5.
What is the molecular formula of PHENETHIPYLONE?
The molecular formula of PHENETHIPYLONE is C27H25NO4S.
What is the molecular weight of PHENETHIPYLONE?
The molecular weight of PHENETHIPYLONE is 459.15 g/mol.
Where can I buy PHENETHIPYLONE?
You can request a quote for PHENETHIPYLONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PHENETHIPYLONE?
Yes, KEHONG BIO provides custom synthesis services for PHENETHIPYLONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.