CAS RN: 888473-50-5
(1H-Pyrrol-3-yl)MethanaMine
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-200569
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
888473-50-5 / 1H-pyrrol-3-ylmethanamine
Basic Information
CAS
888473-50-5
Multi CAS
No
Molecular Formula
C5H8N2
Molecular Weight
96.130000
Exact Mass
96.068748
InChI
InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h1-2,4,7H,3,6H2
InChIKey
YECAHBRVIMAHCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
28.68
TPSA
41.81
LogP / Solubility
WLOGP
0.47
MLOGP
0.4
XLogP3
-0.4
Consensus LogP
0.16
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-2.97
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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![CAS 888498-07-5 1H-Pyrrolo[2,3-b]pyridine-4-methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/888498-07-5.gif)
