CAS RN: 54043-71-9
4-methyl ester 2,2-dimethyl-Butanedioic acid
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.20250930 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-161546
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, 5g
- 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.
54043-71-9 / 4-methoxy-2,2-dimethyl-4-oxobutanoic acid
Basic Information
CAS
54043-71-9
Multi CAS
No
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
InChI
InChI=1S/C7H12O4/c1-7(2,6(9)10)4-5(8)11-3/h4H2,1-3H3,(H,9,10)
InChIKey
MUXJXSWYXDORJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.05
TPSA
63.6
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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2-Naphthacenecarboxamide, 11a-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxo-, [4S-(4alpha,4aalpha,5alpha,5aalpha,11aalpha,12aalpha)]-, mono(4-methylbenzenesulfonate) (salt)
- CAS RN: 54046-89-8
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