Emd 95885
TL;DR: Emd 95885 (CAS 178165-43-0) is a chemical compound with molecular formula C22H23FN2O3 and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one
Also Known As: SID:135727529, 2(3H)-Benzoxazolone, 6-(3-(4-((4-fluorophenyl)methyl)-1-piperidinyl)-1-oxopropyl)-, 6-(3-(4-((4-Fluorophenyl)methyl)-1-piperidinyl)-1-oxopropyl)-2(3H)-benzoxazolone, 6-[3-[4-(4-Fluorobenzyl)piperidin-1-yl]propionyl]benzoxazol-2(3H)-one, 6-(3-{4-[(4-Fluorophenyl)methyl]piperidin-1-yl}propanoyl)-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C22H23FN2O3 |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.16928 |
| Heavy Atoms | 28 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 178165-43-0 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=C(C=C2)F)CCC(=O)C3=CC4=C(C=C3)NC(=O)O4 |
| InChIKey | FWYRCNFWCMKNTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Emd 95885 (CAS 178165-43-0), with molecular formula C22H23FN2O3 and molecular weight 382.17 g/mol. IUPAC: 6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of Emd 95885
Property Insights of Emd 95885
The XLogP value of 3.6 indicates that Emd 95885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Emd 95885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Emd 95885 has 1 hydrogen bond donor(s) and 5 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 Emd 95885?
The CAS number of Emd 95885 is 178165-43-0.
What is the molecular formula of Emd 95885?
The molecular formula of Emd 95885 is C22H23FN2O3.
What is the molecular weight of Emd 95885?
The molecular weight of Emd 95885 is 382.17 g/mol.
Where can I buy Emd 95885?
You can request a quote for Emd 95885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emd 95885?
Yes, KEHONG BIO provides custom synthesis services for Emd 95885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.