S 12813
TL;DR: S 12813 (CAS 134336-97-3) is a chemical compound with molecular formula C18H20N4O2 and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Also Known As: S 12813, s12813, 3-(2-(4-Phenyl-1-piperazinyl)ethyl)oxazolo(4,5-b)pyridin-2(3H)-one, S-12813-4, S-12813
| Molecular Formula | C18H20N4O2 |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 1.8117 |
| Topological Polar Surface Area | 54.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.15863 |
| Heavy Atoms | 24 |
| Complexity | 863.3611 |
Chemical Identifiers
| CAS Number | 134336-97-3 |
|---|---|
| SMILES | C1CN(CCN1CCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4 |
Product Overview
S 12813 (CAS 134336-97-3), with molecular formula C18H20N4O2 and molecular weight 324.16 g/mol. IUPAC: 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
Chemical Property Profile of S 12813
Property Insights of S 12813
The XLogP value of 1.8117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S 12813. With a topological polar surface area (TPSA) of 54.51 Ų, S 12813 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S 12813 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 S 12813?
The CAS number of S 12813 is 134336-97-3.
What is the molecular formula of S 12813?
The molecular formula of S 12813 is C18H20N4O2.
What is the molecular weight of S 12813?
The molecular weight of S 12813 is 324.16 g/mol.
Where can I buy S 12813?
You can request a quote for S 12813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S 12813?
Yes, KEHONG BIO provides custom synthesis services for S 12813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.