ChemDiv2_006187
TL;DR: ChemDiv2_006187 (CAS 842959-74-4) is a chemical compound with molecular formula C17H20ClN3O3S and molecular weight 381.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
Also Known As: ChemDiv2_006187, IFLab1_002753, BAS 04043876, IDI1_004902, F0594-0623
| Molecular Formula | C17H20ClN3O3S |
|---|---|
| Molecular Weight | 381.09 g/mol |
| LogP | 3.7951 |
| Topological Polar Surface Area | 68.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.0914 |
| Heavy Atoms | 25 |
| Complexity | 707.4186 |
Chemical Identifiers
| CAS Number | 842959-74-4 |
|---|---|
| SMILES | CC1CCCCN1C(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl |
Product Overview
ChemDiv2_006187 (CAS 842959-74-4), with molecular formula C17H20ClN3O3S and molecular weight 381.09 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of ChemDiv2_006187
Property Insights of ChemDiv2_006187
The XLogP value of 3.7951 indicates that ChemDiv2_006187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006187. Following Lipinski's Rule of Five, ChemDiv2_006187 has 0 hydrogen bond donor(s) and 6 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 ChemDiv2_006187?
The CAS number of ChemDiv2_006187 is 842959-74-4.
What is the molecular formula of ChemDiv2_006187?
The molecular formula of ChemDiv2_006187 is C17H20ClN3O3S.
What is the molecular weight of ChemDiv2_006187?
The molecular weight of ChemDiv2_006187 is 381.09 g/mol.
Where can I buy ChemDiv2_006187?
You can request a quote for ChemDiv2_006187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006187?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.