CAS RN: 34649-19-9
4,5-DibroMo-1H-pyrrole-2-carbonitrile
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.20260302 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS34649-19-9
- Purity/Analytical Methods: >99.0%
34649-19-9 / 4,5-dibromo-1H-pyrrole-2-carbonitrile
Basic Information
CAS
34649-19-9
Multi CAS
No
Molecular Formula
C5H2BR2N2
Molecular Weight
249.890000
Exact Mass
249.856420
InChI
InChI=1S/C5H2Br2N2/c6-4-1-3(2-8)9-5(4)7/h1,9H
InChIKey
VNVJCGBSMPWVIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.91
TPSA
39.58
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 34658-67-8 2-(3-nitrophenyl)H-iMidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34658-67-8.gif)
