CAS RN: 887338-40-1
3-BroMo-7-Methyl-1-(p-toluenesulfonyl)indole
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.20250401 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-200243
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
887338-40-1 / 3-bromo-7-methyl-1-(4-methylphenyl)sulfonylindole
Basic Information
CAS
887338-40-1
Multi CAS
Yes
Molecular Formula
BC16H14O2RnS
Molecular Weight
364.300000
Exact Mass
362.992860
InChI
InChI=1S/C16H14BrNO2S/c1-11-6-8-13(9-7-11)21(19,20)18-10-15(17)14-5-3-4-12(2)16(14)18/h3-10H,1-2H3
InChIKey
DVIYUHTVTCSRJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
88.14
TPSA
39.07
LogP / Solubility
WLOGP
4.26
MLOGP
3.77
XLogP3
4.6
Consensus LogP
4.21
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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