CAS RN: 1160574-37-7
3-Bromo-5-chloro-2-iodobenzonitrile
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250310 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251204 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250421 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250813 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250117 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250424 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1160574-37-7
- Purity/Analytical Methods: >99.0%
1160574-37-7 / 3-bromo-5-chloro-2-iodobenzonitrile
3-Bromo-5-chloro-2-iodobenzonitrile | MFCD11846071 | 3-bromo-5-chloro-2-iodo-benzonitrile
Basic Information
CAS
1160574-37-7
Multi CAS
No
Molecular Formula
C7H2BrClIN
Molecular Weight
342.360000
Exact Mass
340.810390
SMILES
C1=C(C=C(C(=C1C#N)I)Br)Cl
InChI
InChI=1S/C7H2BrClIN/c8-6-2-5(9)1-4(3-11)7(6)10/h1-2H
InChIKey
SMWDNNGGYPAOGE-UHFFFAOYSA-N
Synonyms
3-Bromo-5-chloro-2-iodobenzonitrile
MFCD11846071
3-bromo-5-chloro-2-iodo-benzonitrile
BS-53201
E76603
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
56.58
TPSA
23.79
LogP / Solubility
WLOGP
3.58
MLOGP
3.17
XLogP3
3.6
Consensus LogP
3.45
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
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
