12P-335S
TL;DR: 12P-335S (CAS 477709-78-7) is a chemical compound with molecular formula C28H21N7O2S and molecular weight 519.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole
Also Known As: 12P-335S, 3-[(4-nitrobenzyl)sulfanyl]-4-phenyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole, 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole, 3-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole, 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole
| Molecular Formula | C28H21N7O2S |
|---|---|
| Molecular Weight | 519.15 g/mol |
| LogP | 6.1112 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.14777 |
| Heavy Atoms | 38 |
| Complexity | 1676.9238 |
Chemical Identifiers
| CAS Number | 477709-78-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-])N6C=CC=C6 |
Product Overview
12P-335S (CAS 477709-78-7), with molecular formula C28H21N7O2S and molecular weight 519.15 g/mol. IUPAC: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole.
Chemical Property Profile of 12P-335S
Property Insights of 12P-335S
The XLogP value of 6.1112 indicates that 12P-335S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 12P-335S. Following Lipinski's Rule of Five, 12P-335S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12P-335S?
The CAS number of 12P-335S is 477709-78-7.
What is the molecular formula of 12P-335S?
The molecular formula of 12P-335S is C28H21N7O2S.
What is the molecular weight of 12P-335S?
The molecular weight of 12P-335S is 519.15 g/mol.
Where can I buy 12P-335S?
You can request a quote for 12P-335S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12P-335S?
Yes, KEHONG BIO provides custom synthesis services for 12P-335S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.