CAS RN: 190386-37-9
N-METHYLPYRROLE-D4
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.20260222 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS190386-37-9
- Purity/Analytical Methods: >99.0%
190386-37-9 / 2,3,4,5-tetradeuterio-1-methylpyrrole
Basic Information
CAS
190386-37-9
Multi CAS
No
Molecular Formula
C5H7N
Molecular Weight
85.140000
Exact Mass
85.082956
SMILES
[2H]C1=C(N(C(=C1[2H])[2H])C)[2H]
InChI
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3/i2D,3D,4D,5D
InChIKey
OXHNLMTVIGZXSG-QFFDRWTDSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
1
Molar refractivity
25.41
TPSA
4.93
LogP / Solubility
WLOGP
1.03
MLOGP
0.89
XLogP3
1.2
Consensus LogP
1.04
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-2.49
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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