CS526 cpd
Also known as 1H-Pyrrolo(2,3-d)pyridazine, 7-((4-fluorophenyl)methoxy)-2,3-dimethyl-1-(((1S,2S)-2-methylcyclopropyl)methyl)-, 7-((4-Fluorophenyl)methoxy)-2,3-dimethyl-1-(((1S,2S)-2-methylcyclopropyl)methyl)-1H-pyrrolo(2,3-d)pyridazine, 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[[(1S,2S)-2-methylcyclopropyl]methyl]pyrrolo[2,3-d]pyridazine
Key facts
What buyers check first
- CAS number
- 313272-12-7
- Formula
- C20H22FN3O
- Molar mass
- 339.41 g/mol
- HS code
- 293399
- Category
- Screening compounds
What is CS526 cpd?
Plain description, key identifiers and synonyms
CS526 cpd is a chemical substance with the molecular formula C20H22FN3O and a molar mass of 339.41 g/mol. Its CAS registry number is 313272-12-7. The IUPAC name is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[[(1S,2S)-2-methylcyclopropyl]methyl]pyrrolo[2,3-d]pyridazine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[[(1S,2S)-2-methylcyclopropyl]methyl]pyrrolo[2,3-d]pyridazine
- CAS number
- 313272-12-7
- Molecular formula
- C20H22FN3O
- UNII
- K82NW38NLW
- InChIKey
- NXPLYKRKIFPEOA-BLLLJJGKSA-N
- InChI
- InChI=1S/C20H22FN3O/c1-12-8-16(12)10-24-14(3)13(2)18-9-22-23-20(19(18)24)25-11-15-4-6-17(21)7-5-15/h4-7,9,12,16H,8,10-11H2,1-3H3/t12-,16+/m0/s1
- Canonical SMILES
- Cc1c(C)n(CC2CC2C)c2c(OCc3ccc(F)cc3)nncc12
- Isomeric SMILES
- C[C@H]1C[C@@H]1CN2C(=C(C3=CN=NC(=C32)OCC4=CC=C(C=C4)F)C)C
Synonyms
- 1H-Pyrrolo(2,3-d)pyridazine, 7-((4-fluorophenyl)methoxy)-2,3-dimethyl-1-(((1S,2S)-2-methylcyclopropyl)methyl)-
- 7-((4-Fluorophenyl)methoxy)-2,3-dimethyl-1-(((1S,2S)-2-methylcyclopropyl)methyl)-1H-pyrrolo(2,3-d)pyridazine
- 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[[(1S,2S)-2-methylcyclopropyl]methyl]pyrrolo[2,3-d]pyridazine
- 7-(4-fluorobenzyloxy)-2,3-dimethyl-1-(((1S,2S)-2-methylcyclopropyl)methyl)-1H-pyrrolo[2,3-d]pyridazine
- 7-(4-fluorobenzyloxy)-2,3-dimethyl-1-((2-methylcyclopropyl)methyl)-1h-pyrrolo(2,3-d)pyridazine
- 7-(4-fluorobenzyloxy)-2,3-dimethyl-1-[(1s,2s)-2-methylcyclopropylmethyl]pyrrolo[2,3-d]-pyridazine
- 7-(4-Fluorobenzyloxy)-2,3-dimethyl-1-[(1S,2S)-2-methylcyclopropylmethyl]pyrrolo[2,3-d]pyridazine
- 7-(4-fluorobenzyloxy)-2,3-dimethyl-1-{[(1s,2s)-2-methyl cyclopropyl]methyl}-1h-pyrrolo[2,3-d]pyridazine
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 | 339.41 g/molcalc.Computed value |
|---|---|
| Exact mass | 339.1747 Dacalc.Computed value |
| LogP (octanol/water) | 4.42calc.Computed value |
| Topological polar surface area | 39.94 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 25calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.4calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.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
c1ccc(COc2nncc3ccn(CC4CC4)c23)cc1
4 rings, 21 atoms.
No other chemical in our database has this scaffold.
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.
CS526 cpd suppliers
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Post one free request and suppliers who make or trade CS526 cpd can send you quotes. Your contact details stay private until you accept a quote.
CS526 cpd 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 CS526 cpd is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for CS526 cpd 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
Same formula isomers
Different compounds that share this molecular formula
![N-(3-{1-[(2-Fluorophenyl)methyl]benzimidazol-2-yl}propyl)propanamide chemical structure, C20H22FN3O, CAS 850923-94-3](/s/QWODMJMFVGKXDS-UHFFFAOYSA-N.svg)
![N-[3-Fluoro-4-(4-phenylpiperazin-1-yl)phenyl]cyclopropanecarboxamide chemical structure, C20H22FN3O, CAS 478079-64-0](/s/MUFMIXGNRSOIJM-UHFFFAOYSA-N.svg)
![N-[2-(1-Butyl-1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide chemical structure, C20H22FN3O, CAS 831241-06-6](/s/MLHCIRGHXZDRFN-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about CS526 cpd, based on the data on this page
What is CS526 cpd?
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What is CS526 cpd used for?
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What is the price of CS526 cpd?
Guides for buyers
Practical guides that help when you source, ship or handle CS526 cpd
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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