CAS RN: 1129540-65-3
2-BroMo-6-Morpholinobenzonitrile
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.20250714 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1129540-65-3
- Purity/Analytical Methods: >99.0%
1129540-65-3 / 2-bromo-6-morpholin-4-ylbenzonitrile
2-Bromo-6-morpholinobenzonitrile | MFCD11037772 | 2-bromo-6-morpholin-4-ylbenzonitrile
Basic Information
CAS
1129540-65-3
Multi CAS
No
Molecular Formula
C11H11BrN2O
Molecular Weight
267.120000
Exact Mass
266.005480
SMILES
C1COCCN1C2=C(C(=CC=C2)Br)C#N
InChI
InChI=1S/C11H11BrN2O/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2
InChIKey
HKIGGSMIIBGCKZ-UHFFFAOYSA-N
Synonyms
2-Bromo-6-morpholinobenzonitrile
MFCD11037772
2-bromo-6-morpholin-4-ylbenzonitrile
SCHEMBL3752176
DTXSID20732437
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.89
TPSA
36.26
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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