CAS RN: 1082040-78-5
4-BroMo-6-fluoro-7-Methylindole
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.20260528 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1082040-78-5
- Purity/Analytical Methods: >99.0%
1082040-78-5 / 4-bromo-6-fluoro-7-methyl-1H-indole
4-bromo-6-fluoro-7-methyl-1H-indole | MFCD11845507 | 4-Bromo-6-fluoro-7-methylindole
Basic Information
CAS
1082040-78-5
Multi CAS
No
Molecular Formula
C9H7BrFN
Molecular Weight
228.060000
Exact Mass
226.974590
SMILES
CC1=C2C(=C(C=C1F)Br)C=CN2
InChI
InChI=1S/C9H7BrFN/c1-5-8(11)4-7(10)6-2-3-12-9(5)6/h2-4,12H,1H3
InChIKey
APJWRMDDRQDBDX-UHFFFAOYSA-N
Synonyms
4-bromo-6-fluoro-7-methyl-1H-indole
MFCD11845507
4-Bromo-6-fluoro-7-methylindole
SCHEMBL24786826
SCHEMBL30023280
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.69
TPSA
15.79
LogP / Solubility
WLOGP
3.38
MLOGP
2.98
XLogP3
3.2
Consensus LogP
3.19
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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