12P-336S
TL;DR: 12P-336S (CAS 477709-79-8) is a chemical compound with molecular formula C16H13N5OS and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole
Also Known As: 12P-336S, 2-(methylsulfanyl)-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-1,3,4-oxadiazole, 2-methylsulfanyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole
| Molecular Formula | C16H13N5OS |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 3.4349 |
| Topological Polar Surface Area | 61.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.08408 |
| Heavy Atoms | 23 |
| Complexity | 911.2753 |
Chemical Identifiers
| CAS Number | 477709-79-8 |
|---|---|
| SMILES | CSC1=NN=C(O1)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 |
Product Overview
12P-336S (CAS 477709-79-8), with molecular formula C16H13N5OS and molecular weight 323.08 g/mol. IUPAC: 2-methylsulfanyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole.
Chemical Property Profile of 12P-336S
Property Insights of 12P-336S
The XLogP value of 3.4349 indicates that 12P-336S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 12P-336S. Following Lipinski's Rule of Five, 12P-336S 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 12P-336S?
The CAS number of 12P-336S is 477709-79-8.
What is the molecular formula of 12P-336S?
The molecular formula of 12P-336S is C16H13N5OS.
What is the molecular weight of 12P-336S?
The molecular weight of 12P-336S is 323.08 g/mol.
Where can I buy 12P-336S?
You can request a quote for 12P-336S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12P-336S?
Yes, KEHONG BIO provides custom synthesis services for 12P-336S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.