12P-309S
TL;DR: 12P-309S (CAS 956573-39-0) is a chemical compound with molecular formula C22H16FN5OS and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole
Also Known As: 12P-309S, 4-fluorobenzyl 5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-1,3,4-oxadiazol-2-yl sulfide, 2-[(4-fluorophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole, 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-1,3,4-oxadiazole, 2-[(4-fluorophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,3,4-oxadiazole
| Molecular Formula | C22H16FN5OS |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 5.1444 |
| Topological Polar Surface Area | 61.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.10596 |
| Heavy Atoms | 30 |
| Complexity | 1246.6997 |
Chemical Identifiers
| CAS Number | 956573-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(O3)SCC4=CC=C(C=C4)F)N5C=CC=C5 |
Product Overview
12P-309S (CAS 956573-39-0), with molecular formula C22H16FN5OS and molecular weight 417.11 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole.
Chemical Property Profile of 12P-309S
Property Insights of 12P-309S
The XLogP value of 5.1444 indicates that 12P-309S 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-309S. Following Lipinski's Rule of Five, 12P-309S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12P-309S?
The CAS number of 12P-309S is 956573-39-0.
What is the molecular formula of 12P-309S?
The molecular formula of 12P-309S is C22H16FN5OS.
What is the molecular weight of 12P-309S?
The molecular weight of 12P-309S is 417.11 g/mol.
Where can I buy 12P-309S?
You can request a quote for 12P-309S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12P-309S?
Yes, KEHONG BIO provides custom synthesis services for 12P-309S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.