ChemDiv3_008614
TL;DR: ChemDiv3_008614 (CAS 484695-41-2) is a chemical compound with molecular formula C16H18ClN3O2S and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
Also Known As: ChemDiv3_008614, IDI1_026524, BAS 04046086, 2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one, BRD-A31464275-001-01-4
| Molecular Formula | C16H18ClN3O2S |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 3.8831 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.0808 |
| Heavy Atoms | 23 |
| Complexity | 674.2198 |
Chemical Identifiers
| CAS Number | 484695-41-2 |
|---|---|
| SMILES | CC1CCCCN1C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl |
Product Overview
ChemDiv3_008614 (CAS 484695-41-2), with molecular formula C16H18ClN3O2S and molecular weight 351.08 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of ChemDiv3_008614
Property Insights of ChemDiv3_008614
The XLogP value of 3.8831 indicates that ChemDiv3_008614 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, ChemDiv3_008614 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_008614 has 0 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 ChemDiv3_008614?
The CAS number of ChemDiv3_008614 is 484695-41-2.
What is the molecular formula of ChemDiv3_008614?
The molecular formula of ChemDiv3_008614 is C16H18ClN3O2S.
What is the molecular weight of ChemDiv3_008614?
The molecular weight of ChemDiv3_008614 is 351.08 g/mol.
Where can I buy ChemDiv3_008614?
You can request a quote for ChemDiv3_008614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008614?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.