1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone
TL;DR: 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone (CAS 681280-15-9) is a chemical compound with molecular formula C28H27N3O3S and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone
Also Known As: 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone, 1-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one, 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone
| Molecular Formula | C28H27N3O3S |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 5.6655 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.1773 |
| Heavy Atoms | 35 |
| Complexity | 1377.107 |
Chemical Identifiers
| CAS Number | 681280-15-9 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC |
Product Overview
1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone (CAS 681280-15-9), with molecular formula C28H27N3O3S and molecular weight 485.18 g/mol. IUPAC: 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone.
Chemical Property Profile of 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone
Property Insights of 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone
The XLogP value of 5.6655 indicates that 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone 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 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone?
The CAS number of 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone is 681280-15-9.
What is the molecular formula of 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone?
The molecular formula of 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone is C28H27N3O3S.
What is the molecular weight of 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone?
The molecular weight of 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone is 485.18 g/mol.
Where can I buy 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone?
You can request a quote for 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.