CAS RN: 36953-44-3
5-BroMo-1H-pyrrole-2-carbonitrile
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-144247
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 |
36953-44-3 / 5-bromo-1H-pyrrole-2-carbonitrile
Basic Information
CAS
36953-44-3
Multi CAS
No
Molecular Formula
BC5H3Rn2
Molecular Weight
170.990000
Exact Mass
169.947960
InChI
InChI=1S/C5H3BrN2/c6-5-2-1-4(3-7)8-5/h1-2,8H
InChIKey
ICKKJIMPEICFGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.21
TPSA
39.58
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1.8
Consensus LogP
1.63
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
