12P-334S
TL;DR: 12P-334S (CAS 956782-10-8) is a chemical compound with molecular formula C29H24N6OS and molecular weight 504.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole
Also Known As: 12P-334S, methyl 4-[({4-phenyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl ether, 3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole, 3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole
| Molecular Formula | C29H24N6OS |
|---|---|
| Molecular Weight | 504.17 g/mol |
| LogP | 6.2116 |
| Topological Polar Surface Area | 62.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.17322 |
| Heavy Atoms | 37 |
| Complexity | 1590.0203 |
Chemical Identifiers
| CAS Number | 956782-10-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6 |
Product Overview
12P-334S (CAS 956782-10-8), with molecular formula C29H24N6OS and molecular weight 504.17 g/mol. IUPAC: 3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole.
Chemical Property Profile of 12P-334S
Property Insights of 12P-334S
The XLogP value of 6.2116 indicates that 12P-334S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 12P-334S. Following Lipinski's Rule of Five, 12P-334S 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-334S?
The CAS number of 12P-334S is 956782-10-8.
What is the molecular formula of 12P-334S?
The molecular formula of 12P-334S is C29H24N6OS.
What is the molecular weight of 12P-334S?
The molecular weight of 12P-334S is 504.17 g/mol.
Where can I buy 12P-334S?
You can request a quote for 12P-334S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12P-334S?
Yes, KEHONG BIO provides custom synthesis services for 12P-334S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.