RefChem:420861
TL;DR: RefChem:420861 (CAS 735336-29-5) is a chemical compound with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid
Also Known As: 1-{2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid, 1-[2-(5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetyl]-piperidine-4-carboxylic acid, 1-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic Acid, 1-(2-((5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl)acetyl)piperidine-4-carboxylic acid, 1-{2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}piperidine-4-carboxylicacid
| Molecular Formula | C16H17N3O4S |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 2.1519 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.09396 |
| Heavy Atoms | 24 |
| Complexity | 711.12244 |
Chemical Identifiers
| CAS Number | 735336-29-5 |
|---|---|
| SMILES | C1CN(CCC1C(=O)O)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3 |
Product Overview
RefChem:420861 (CAS 735336-29-5), with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol. IUPAC: 1-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid.
Chemical Property Profile of RefChem:420861
Property Insights of RefChem:420861
The XLogP value of 2.1519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:420861. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:420861. Following Lipinski's Rule of Five, RefChem:420861 has 1 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 RefChem:420861?
The CAS number of RefChem:420861 is 735336-29-5.
What is the molecular formula of RefChem:420861?
The molecular formula of RefChem:420861 is C16H17N3O4S.
What is the molecular weight of RefChem:420861?
The molecular weight of RefChem:420861 is 347.09 g/mol.
Where can I buy RefChem:420861?
You can request a quote for RefChem:420861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:420861?
Yes, KEHONG BIO provides custom synthesis services for RefChem:420861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.