Bas 02280203
Also known as 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-{1-Ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide, 2-(1-ethyl-3-(4-methoxyphenethyl)-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
Key facts
What buyers check first
- CAS number
- 4846-62-2
- Formula
- C22H24FN3O3S
- Molar mass
- 429.52 g/mol
- HS code
- 293329
- Category
- Screening compounds
What is Bas 02280203?
Plain description, key identifiers and synonyms
Bas 02280203 is a chemical substance with the molecular formula C22H24FN3O3S and a molar mass of 429.52 g/mol. Its CAS registry number is 4846-62-2. The IUPAC name is 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
- CAS number
- 4846-62-2 CAS number cross-checked
- Molecular formula
- C22H24FN3O3S
- InChIKey
- YCJJLPCSOSFAJA-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H24FN3O3S/c1-3-25-21(28)19(14-20(27)24-17-8-6-16(23)7-9-17)26(22(25)30)13-12-15-4-10-18(29-2)11-5-15/h4-11,19H,3,12-14H2,1-2H3,(H,24,27)
- SMILES (canonical and isomeric)
- CCN1C(=O)C(N(C1=S)CCC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)F
Synonyms
- 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
- 2-{1-Ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
- 2-(1-ethyl-3-(4-methoxyphenethyl)-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
- 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]-N-(4-fluorophenyl)ethanamide
- 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-4-imidazolidinyl]-N-(4-fluorophenyl)acetamide
- 2-[1-ethyl-5-keto-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
- 2-{1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 429.52 g/molcalc.Computed value |
|---|---|
| Exact mass | 429.1522 Dacalc.Computed value |
| LogP (octanol/water) | 3.22calc.Computed value |
| Topological polar surface area | 61.88 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 30calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.32calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Bas 02280203 suppliers
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Bas 02280203 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Bas 02280203 is traded under.
Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…
- United Kingdom13.0%
- United States7.9%
- China6.5%
* Partner reported figures, a lower bound.
The HS code shown for Bas 02280203 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![2-[1-Ethyl-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide chemical structure, C22H24FN3O3S, CAS 1022923-54-1](/s/DFAOJYNQKANGRY-UHFFFAOYSA-N.svg)
![2-{1-Ethyl-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide chemical structure, C21H21F2N3O2S, CAS 1009576-55-9](/s/VZQLEAHKOGTBJC-UHFFFAOYSA-N.svg)
![2-[1-Ethyl-3-(4-methoxybenzyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide chemical structure, C21H22FN3O3S, CAS 1009682-64-7](/s/XFYGOYSPHNKCIT-UHFFFAOYSA-N.svg)
![2-[3-[2-(4-Chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide chemical structure, C22H24ClN3O3S, CAS 473568-26-2](/s/RITBPPNUKFRUIG-UHFFFAOYSA-N.svg)
![2-[1-Ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide chemical structure, C22H25N3O3S, CAS 473568-29-5](/s/AIQBBBUUNGWPSM-UHFFFAOYSA-N.svg)
![2-[1-Benzyl-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide chemical structure, C27H26FN3O3S, CAS 1022904-18-2](/s/LKWBSHMGVMDKSF-UHFFFAOYSA-N.svg)
![2-{3-[2-(4-Chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide chemical structure, C21H21ClFN3O2S, CAS 473568-27-3](/s/OFMYEUADOYNAGI-UHFFFAOYSA-N.svg)
![2-[1-(4-Fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide chemical structure, C26H23F2N3O3S, CAS 1033585-49-7](/s/JVFUYBRHWGAEEO-UHFFFAOYSA-N.svg)
![2-{1-(4-Fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide chemical structure, C27H26FN3O4S, CAS 1024020-04-9](/s/HNYOGORSIQDOBV-UHFFFAOYSA-N.svg)
![Ethyl 4-[({1-ethyl-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate chemical structure, C24H26FN3O4S, CAS 1031422-85-1](/s/DCNVNVYDHMYOLG-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![N-[2-(4-Fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide chemical structure, C22H24FN3O3S, CAS 450336-80-8](/s/YEVYBODZMZJTEV-UHFFFAOYSA-N.svg)
![N-{2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl}benzenesulfonamide chemical structure, C22H24FN3O3S, CAS 877648-54-9](/s/QNVNPRSAXBXPKI-UHFFFAOYSA-N.svg)
![8-{[4-(2-Fluorophenyl)piperazino]sulfonyl}-1-methyl-5,6-dihydro-4H-pyrrolo[3,2,1-IJ]quinolin-2(1H)-one chemical structure, C22H24FN3O3S, CAS 896376-51-5](/s/KOXRFDJSBGMYDY-UHFFFAOYSA-N.svg)
![4-((1-(4-Fluorobenzyl)-2,4-dioxo-1,2-dihydrothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)-N-methylcyclohexanecarboxamide chemical structure, C22H24FN3O3S, CAS 941907-19-3](/s/AYPMCGGFPQPNMP-UHFFFAOYSA-N.svg)
![Allyl 2-(butylthio)-5-(3-fluorophenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate chemical structure, C22H24FN3O3S, CAS 924129-65-7](/s/IFNALJUZBPOANW-UHFFFAOYSA-N.svg)
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