CAS RN: 1260382-73-7
4-BroMo-7-Methyl-indole-6-carboxylic acid 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.20260403 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-031563
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ＞96%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1260382-73-7 / methyl 4-bromo-7-methyl-1H-indole-6-carboxylate
Basic Information
CAS
1260382-73-7
Multi CAS
No
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
CC1=C2C(=C(C=C1C(=O)OC)Br)C=CN2
InChI
InChI=1S/C11H10BrNO2/c1-6-8(11(14)15-2)5-9(12)7-3-4-13-10(6)7/h3-5,13H,1-2H3
InChIKey
XGPWRDDPMYKYLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.08
TPSA
42.09
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
3
Consensus LogP
2.9
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-2.21
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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- Product Code: SSC-031565
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- Purity/Analytical method: >99.0%
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