![1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole structure](/static/products/799/79913-24-9.png)
1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole
TL;DR: 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole (CAS 79913-24-9) is a chemical compound with molecular formula C28H22N2S2 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodithiol-2-yl)phenyl]-3,5-diphenyl-3,4-dihydropyrazole
Also Known As: 2-[4-(1,3-benzodithiol-2-yl)phenyl]-3,5-diphenyl-3,4-dihydropyrazole, 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole, 1-[4-(7,9-dithiabicyclo[4.3.0]nona-1,3,5-trien-8-yl)phenyl]-3,5-diphenyl-4,5-dihydropyrazole
| Molecular Formula | C28H22N2S2 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 7.9389 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.12244 |
| Heavy Atoms | 32 |
| Complexity | 1228.6328 |
Chemical Identifiers
| CAS Number | 79913-24-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C4SC5=CC=CC=C5S4)C6=CC=CC=C6 |
Product Overview
1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole (CAS 79913-24-9), with molecular formula C28H22N2S2 and molecular weight 450.12 g/mol. IUPAC: 2-[4-(1,3-benzodithiol-2-yl)phenyl]-3,5-diphenyl-3,4-dihydropyrazole.
Chemical Property Profile of 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole
Property Insights of 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole
The XLogP value of 7.9389 indicates that 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole 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 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole?
The CAS number of 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole is 79913-24-9.
What is the molecular formula of 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole?
The molecular formula of 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole is C28H22N2S2.
What is the molecular weight of 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole?
The molecular weight of 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole is 450.12 g/mol.
Where can I buy 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole?
You can request a quote for 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(benzo[d][1,3]dithiol-2-yl)phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.