CAS RN: 51856-79-2
Methyl 1-Methylpyrrole-2-acetate
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250905 | 100g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260421 | 10g | Out of stock | Inquiry | |
| Batchno.20250110 | 25g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250603 | 500g | Out of stock | Inquiry | |
| Batchno.20250113 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTM0846
- Purity/Analytical Methods: >97.0%(GC)
51856-79-2 / methyl 2-(1-methylpyrrol-2-yl)acetate
Basic Information
CAS
51856-79-2
Multi CAS
Yes
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
InChI
InChI=1S/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H3
InChIKey
CGYVDYLHQYNGFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.13
TPSA
31.23
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.5
Consensus LogP
0.63
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.13
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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