CAS RN: 188349-40-8
3,5-Dibromoaniline hydrochloride
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.20250326 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS188349-40-8
- Purity/Analytical Methods: >99.0%
188349-40-8 / 3,5-dibromoaniline;hydrochloride
Basic Information
CAS
188349-40-8
Multi CAS
No
Molecular Formula
C6H6Br2ClN
Molecular Weight
287.380000
Exact Mass
286.853500
SMILES
C1=C(C=C(C=C1Br)Br)N.Cl
InChI
InChI=1S/C6H5Br2N.ClH/c7-4-1-5(8)3-6(9)2-4;/h1-3H,9H2;1H
InChIKey
AFXICROPABGNNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.5
TPSA
26.02
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
3.22
Consensus LogP
3.09
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-2.19
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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