RefChem:261316
TL;DR: RefChem:261316 (CAS 15161-65-6) is a chemical compound with molecular formula C26H35NO5S and molecular weight 473.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;2-naphthalen-1-yl-3-[5-(2-piperidin-1-ium-1-ylethyl)oxolan-2-yl]propane-1-thiol
Also Known As: 2-Furanpropanethiol, tetrahydro-beta-(1-naphthyl)-5-(2-piperidinoethyl)-, oxalate, 1-Naphthaleneethanethiol, S-(2-piperidinoethyl)-beta-(tetrahydrofurfuryl)-, oxalate, 2-hydroxy-2-oxoacetate; 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ium-1-ylethyl)oxolan-2-yl]propane-1-thiol, Piperidine, 1-[2-[[2-(1-naphthalenyl)-3-(tetrahydro-2-furanyl)propyl]thio]ethyl]-, ethanedioate (1:1), RefChem:261316
| Molecular Formula | C26H35NO5S |
|---|---|
| Molecular Weight | 473.22 g/mol |
| LogP | 2.07 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.2236 |
| Heavy Atoms | 33 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 15161-65-6 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCC2CCC(O2)CC(CS)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O |
| InChIKey | AUVFBVJLDSKFHU-UHFFFAOYSA-N |
Product Overview
RefChem:261316 (CAS 15161-65-6), with molecular formula C26H35NO5S and molecular weight 473.22 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;2-naphthalen-1-yl-3-[5-(2-piperidin-1-ium-1-ylethyl)oxolan-2-yl]propane-1-thiol.
Chemical Property Profile of RefChem:261316
Property Insights of RefChem:261316
The XLogP value of 2.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:261316. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:261316. Following Lipinski's Rule of Five, RefChem:261316 has 3 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:261316?
The CAS number of RefChem:261316 is 15161-65-6.
What is the molecular formula of RefChem:261316?
The molecular formula of RefChem:261316 is C26H35NO5S.
What is the molecular weight of RefChem:261316?
The molecular weight of RefChem:261316 is 473.22 g/mol.
Where can I buy RefChem:261316?
You can request a quote for RefChem:261316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:261316?
Yes, KEHONG BIO provides custom synthesis services for RefChem:261316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.