CAS RN: 40887-80-7
3-bromophenylhydrazine
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.20260411 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS40887-80-7
- Purity/Analytical Methods: >99.0%
40887-80-7 / (3-bromophenyl)hydrazine
Basic Information
CAS
40887-80-7
Multi CAS
No
Molecular Formula
BC6H7Rn2
Molecular Weight
187.040000
Exact Mass
185.979260
InChI
InChI=1S/C6H7BrN2/c7-5-2-1-3-6(4-5)9-8/h1-4,9H,8H2
InChIKey
PESJTQQZJJTNOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.95
TPSA
38.05
LogP / Solubility
WLOGP
1.73
MLOGP
1.52
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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