12P-340S
TL;DR: 12P-340S (CAS 956625-77-7) is a chemical compound with molecular formula C29H24N6S and molecular weight 488.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methylphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole
Also Known As: 12P-340S, 3-methylbenzyl 4-phenyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide, 3-[(3-methylphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole, 3-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole, 3-[(3-methylphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole
| Molecular Formula | C29H24N6S |
|---|---|
| Molecular Weight | 488.18 g/mol |
| LogP | 6.51142 |
| Topological Polar Surface Area | 53.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.1783 |
| Heavy Atoms | 36 |
| Complexity | 1583.888 |
Chemical Identifiers
| CAS Number | 956625-77-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6 |
Product Overview
12P-340S (CAS 956625-77-7), with molecular formula C29H24N6S and molecular weight 488.18 g/mol. IUPAC: 3-[(3-methylphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole.
Chemical Property Profile of 12P-340S
Property Insights of 12P-340S
The XLogP value of 6.51142 indicates that 12P-340S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.46 Ų, 12P-340S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12P-340S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12P-340S?
The CAS number of 12P-340S is 956625-77-7.
What is the molecular formula of 12P-340S?
The molecular formula of 12P-340S is C29H24N6S.
What is the molecular weight of 12P-340S?
The molecular weight of 12P-340S is 488.18 g/mol.
Where can I buy 12P-340S?
You can request a quote for 12P-340S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12P-340S?
Yes, KEHONG BIO provides custom synthesis services for 12P-340S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.