CAS RN: 1090903-58-4
1H-Indole-7-carboxylic acid, 5-bromo-1-methyl-, methyl ester
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.20250808 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1090903-58-4
- Purity/Analytical Methods: >99.0%
1090903-58-4 / methyl 5-bromo-1-methylindole-7-carboxylate
Methyl 5-bromo-1-methyl-1H-indole-7-carboxylate | Methyl5-bromo-1-methyl-1H-indole-7-carboxylate | methyl 5-bromo-1,N-methylindole-7-carboxylate
Basic Information
CAS
1090903-58-4
Multi CAS
No
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
CN1C=CC2=CC(=CC(=C21)C(=O)OC)Br
InChI
InChI=1S/C11H10BrNO2/c1-13-4-3-7-5-8(12)6-9(10(7)13)11(14)15-2/h3-6H,1-2H3
InChIKey
PXWCGFMBIZJCOC-UHFFFAOYSA-N
Synonyms
Methyl 5-bromo-1-methyl-1H-indole-7-carboxylate
Methyl5-bromo-1-methyl-1H-indole-7-carboxylate
methyl 5-bromo-1,N-methylindole-7-carboxylate
MFCD32011634
methyl 5-bromo-1-methyl-indole-7-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.96
TPSA
31.23
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-2.42
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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