CAS RN: 1347736-83-7
3,6-dibromo-4-fluorobenzene-1,2-diamine
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.20260621 | 100mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1347736-83-7
- Purity/Analytical Methods: >99.0%
1347736-83-7 / 3,6-dibromo-4-fluorobenzene-1,2-diamine
Basic Information
CAS
1347736-83-7
Multi CAS
No
Molecular Formula
C6H5Br2FN2
Molecular Weight
283.920000
Exact Mass
283.878300
SMILES
C1=C(C(=C(C(=C1Br)N)N)Br)F
InChI
InChI=1S/C6H5Br2FN2/c7-2-1-3(9)4(8)6(11)5(2)10/h1H,10-11H2
InChIKey
BHFHVALJBJOMHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.62
TPSA
52.04
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2
Consensus LogP
2.25
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 1347748-59-7
- Product Code: starshine_CAS1347748-59-7
- Purity/Analytical method: >99.0%
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![CAS 1347748-59-7 4′,4”’,4””’-nitrilotris(([1,1′-biphenyl]-3,5-dicarboxylic acid)) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1347748-59-7.gif)
