CAS RN: 872141-24-7
Dimethyl 2-(3-fluoro-2-nitrophenyl)malonate
- Product code: SSC-196934
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g
- Available purity: >98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
872141-24-7 / dimethyl 2-(3-fluoro-2-nitrophenyl)propanedioate
Basic Information
CAS
872141-24-7
Multi CAS
No
Molecular Formula
C11FH10NO6
Molecular Weight
271.200000
Exact Mass
271.049215
InChI
InChI=1S/C11H10FNO6/c1-18-10(14)8(11(15)19-2)6-4-3-5-7(12)9(6)13(16)17/h3-5,8H,1-2H3
InChIKey
OGJCUSFTJIEQRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
59.83
TPSA
95.74
LogP / Solubility
WLOGP
1.16
MLOGP
1.03
XLogP3
1.8
Consensus LogP
1.33
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: SSC-196936
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(5AR,10BS)-(+)-5A,10B-DIHYDRO-2-(PENTAFLUOROPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIZOLO[4,3-D][1,4]OXAZINIUM TETRAFLUOROBORATE
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- Purity/Analytical method: >99.0%
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![CAS 872143-57-2 (5AR,10BS)-(+)-5A,10B-DIHYDRO-2-(PENTAFLUOROPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIZOLO[4,3-D][1,4]OXAZINIUM TETRAFLUOROBORATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/872143-57-2.gif)
![CAS 872164-47-1 1-[(S)-2-Hydroxy-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazolium Hexafluorophosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/872164-47-1.gif)
