CAS RN: 36625-47-5
2-(2-pyrrolidinylidene)-Acetic acid Methyl ester
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.20250730 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS36625-47-5
- Purity/Analytical Methods: >99.0%
36625-47-5 / methyl (2Z)-2-pyrrolidin-2-ylideneacetate
Basic Information
CAS
36625-47-5
Multi CAS
Yes
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
InChI
InChI=1S/C7H11NO2/c1-10-7(9)5-6-3-2-4-8-6/h5,8H,2-4H2,1H3/b6-5+
InChIKey
JDVWLHHVKYUADU-AATRIKPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.34
TPSA
38.33
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
0.7
Consensus LogP
0.5
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.28
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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