CAS RN: 1021910-58-6
3-broMo-2-(2,5-diMethyl-1H-pyrrol-1-yl)pyridine
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.20260413 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-003459
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 | Shenzhen | Inquiry |
1021910-58-6 / 3-bromo-2-(2,5-dimethylpyrrol-1-yl)pyridine
3-bromo-2-(2,5-dimethyl-1h-pyrrol-1-yl)pyridine | MFCD21296836 | 3-Bromo-2-(2,5-dimethyl-1-pyrrolyl)pyridine
Basic Information
CAS
1021910-58-6
Multi CAS
No
Molecular Formula
C11H11BrN2
Molecular Weight
251.120000
Exact Mass
250.010560
SMILES
CC1=CC=C(N1C2=C(C=CC=N2)Br)C
InChI
InChI=1S/C11H11BrN2/c1-8-5-6-9(2)14(8)11-10(12)4-3-7-13-11/h3-7H,1-2H3
InChIKey
SADHFLDUJLSDPH-UHFFFAOYSA-N
Synonyms
3-bromo-2-(2,5-dimethyl-1h-pyrrol-1-yl)pyridine
MFCD21296836
3-Bromo-2-(2,5-dimethyl-1-pyrrolyl)pyridine
3-bromo-2-(2,5-dimethylpyrrol-1-yl)pyridine
SCHEMBL4882091
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.74
TPSA
17.82
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.1
Consensus LogP
3.07
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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