CAS RN: 78167-68-7
Methyl 2-(1-Methyl-2-pyrrolidylidene)acetate
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.20250728 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-187660
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: 1g, 0.1g, 0.25g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
78167-68-7 / methyl (2E)-2-(1-methylpyrrolidin-2-ylidene)acetate
Basic Information
CAS
78167-68-7
Multi CAS
Yes
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/3C2H2O4.10H2O.2Yb/c3*3-1(4)2(5)6;;;;;;;;;;;;/h3*(H,3,4)(H,5,6);10*1H2;;/q;;;;;;;;;;;;;2*+3/p-6
InChIKey
FUUFMJYYMRCJSY-UHFFFAOYSA-H
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.96
TPSA
29.54
LogP / Solubility
WLOGP
0.77
MLOGP
0.67
XLogP3
0.9
Consensus LogP
0.78
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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