CAS RN: 1231930-29-2
EthaniMidaMide, N-(4-broMo-2,6-difluorophenyl)-N’-(1-Methylethyl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250423 | 250mg / 1g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS1231930-29-2
- Purity/Analytical Methods: >99.0%
1231930-29-2 / N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide
Basic Information
CAS
1231930-29-2
Multi CAS
No
Molecular Formula
C11H13BrF2N2
Molecular Weight
291.130000
Exact Mass
290.023020
SMILES
CC(C)N=C(C)NC1=C(C=C(C=C1F)Br)F
InChI
InChI=1S/C11H13BrF2N2/c1-6(2)15-7(3)16-11-9(13)4-8(12)5-10(11)14/h4-6H,1-3H3,(H,15,16)
InChIKey
SCDDZPXMZYLKLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.93
TPSA
24.39
LogP / Solubility
WLOGP
3.97
MLOGP
3.5
XLogP3
2.9
Consensus LogP
3.46
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
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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