CAS RN: 98137-96-3
1,3-DIBROMO-2-IODO-5-NITROBENZENE
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.20250909 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS98137-96-3
- Purity/Analytical Methods: >99.0%
98137-96-3 / 1,3-dibromo-2-iodo-5-nitrobenzene
Basic Information
CAS
98137-96-3
Multi CAS
No
Molecular Formula
C6H2BR2INO2
Molecular Weight
406.800000
Exact Mass
406.747650
InChI
InChI=1S/C6H2Br2INO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey
ZTLNIHDUCWPSGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.21
TPSA
43.14
LogP / Solubility
WLOGP
3.72
MLOGP
3.3
XLogP3
3.8
Consensus LogP
3.61
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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