CAS RN: 625-82-1
2,4-Dimethylpyrrole
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-171689
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: 25g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
625-82-1 / 2,4-dimethyl-1H-pyrrole
Basic Information
CAS
625-82-1
Multi CAS
Yes
Molecular Formula
C6H9N
Molecular Weight
95.140000
Exact Mass
95.073499
InChI
InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3
InChIKey
MFFMQGGZCLEMCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond donors
1
Molar refractivity
30.27
TPSA
15.79
LogP / Solubility
WLOGP
1.63
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.14
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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