12P-310S
TL;DR: 12P-310S (CAS 956625-30-2) is a chemical compound with molecular formula C18H15N5OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
Also Known As: 12P-310S, 2-(allylsulfanyl)-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-1,3,4-oxadiazole, 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole, 2-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-5-(prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazole
| Molecular Formula | C18H15N5OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 3.9911 |
| Topological Polar Surface Area | 61.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.09973 |
| Heavy Atoms | 25 |
| Complexity | 972.26 |
Chemical Identifiers
| CAS Number | 956625-30-2 |
|---|---|
| SMILES | C=CCSC1=NN=C(O1)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 |
Product Overview
12P-310S (CAS 956625-30-2), with molecular formula C18H15N5OS and molecular weight 349.10 g/mol. IUPAC: 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole.
Chemical Property Profile of 12P-310S
Property Insights of 12P-310S
The XLogP value of 3.9911 indicates that 12P-310S 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-310S. Following Lipinski's Rule of Five, 12P-310S 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-310S?
The CAS number of 12P-310S is 956625-30-2.
What is the molecular formula of 12P-310S?
The molecular formula of 12P-310S is C18H15N5OS.
What is the molecular weight of 12P-310S?
The molecular weight of 12P-310S is 349.10 g/mol.
Where can I buy 12P-310S?
You can request a quote for 12P-310S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12P-310S?
Yes, KEHONG BIO provides custom synthesis services for 12P-310S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.