![CAS 942065-50-1 Benzenebutanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, (αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942065-50-1.gif)
CAS RN: 942065-50-1
Benzenebutanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, (αS)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-208780
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: 0.1g, 0.25g, 1g
- Available purity: >97%
- 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.
942065-50-1 / 4-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Basic Information
CAS
942065-50-1
Multi CAS
Yes
Molecular Formula
C15FH20NO4
Molecular Weight
297.320000
Exact Mass
297.137636
InChI
InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-12(13(18)19)9-6-10-4-7-11(16)8-5-10/h4-5,7-8,12H,6,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
JYPLRFOLNJICIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.51
TPSA
75.63
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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