ChemDiv1_014555
TL;DR: ChemDiv1_014555 (CAS 450349-12-9) is a chemical compound with molecular formula C26H25N3O3S2 and molecular weight 491.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone
Also Known As: ChemDiv1_014555, F0545-0817, 1-(5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone, 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone, 1-[5-(2,3-DIMETHOXYPHENYL)-3-(THIOPHEN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-[(1-METHYL-1H-INDOL-3-YL)SULFANYL]ETHAN-1-ONE
| Molecular Formula | C26H25N3O3S2 |
|---|---|
| Molecular Weight | 491.13 g/mol |
| LogP | 5.727 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.13373 |
| Heavy Atoms | 34 |
| Complexity | 1361.1432 |
Chemical Identifiers
| CAS Number | 450349-12-9 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=C(C(=CC=C5)OC)OC |
Product Overview
ChemDiv1_014555 (CAS 450349-12-9), with molecular formula C26H25N3O3S2 and molecular weight 491.13 g/mol. IUPAC: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone.
Chemical Property Profile of ChemDiv1_014555
Property Insights of ChemDiv1_014555
The XLogP value of 5.727 indicates that ChemDiv1_014555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, ChemDiv1_014555 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_014555 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 ChemDiv1_014555?
The CAS number of ChemDiv1_014555 is 450349-12-9.
What is the molecular formula of ChemDiv1_014555?
The molecular formula of ChemDiv1_014555 is C26H25N3O3S2.
What is the molecular weight of ChemDiv1_014555?
The molecular weight of ChemDiv1_014555 is 491.13 g/mol.
Where can I buy ChemDiv1_014555?
You can request a quote for ChemDiv1_014555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.