CAS RN: 87630-40-8
3-BROMO-1H-PYRROLE
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.20260526 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS87630-40-8
- Purity/Analytical Methods: >99.0%
87630-40-8 / 3-bromo-1H-pyrrole
Basic Information
CAS
87630-40-8
Multi CAS
No
Molecular Formula
BC4H4Rn
Molecular Weight
145.990000
Exact Mass
144.952710
InChI
InChI=1S/C4H4BrN/c5-4-1-2-6-3-4/h1-3,6H
InChIKey
ZZHFDFIWLDELCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
H-bond donors
1
Molar refractivity
28.49
TPSA
15.79
LogP / Solubility
WLOGP
1.78
MLOGP
1.56
XLogP3
1.4
Consensus LogP
1.58
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-2.35
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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