CAS RN: 20863-72-3
1H-PYRROLE-3-METHANAMINE, 1-METHYL-
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.20250215 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20863-72-3
- Purity/Analytical Methods: >99.0%
20863-72-3 / (1-methylpyrrol-3-yl)methanamine
Basic Information
CAS
20863-72-3
Multi CAS
No
Molecular Formula
C6H10N2
Molecular Weight
110.160000
Exact Mass
110.084398
SMILES
CN1C=CC(=C1)CN
InChI
InChI=1S/C6H10N2/c1-8-3-2-6(4-7)5-8/h2-3,5H,4,7H2,1H3
InChIKey
ZAOLDHBNVDOBDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.3
TPSA
30.95
LogP / Solubility
WLOGP
0.48
MLOGP
0.41
XLogP3
-0.5
Consensus LogP
0.13
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.05
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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