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CAS 1000343-13-4 5-BROMO-6-METHYL INDOLE molecular structure lightbox
CAS RN: 1000343-13-4

5-BROMO-6-METHYL INDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-000157
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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: 0.25g, 0.1g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1000343-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 4 In Stock Shanghai Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

1000343-13-4 / 5-bromo-6-methyl-1H-indole

5-bromo-6-methyl-1H-indole | 5-BROMO-6-METHYLINDOLE | 5-Bromo-6-methyl indole

Standard CAS: 1000343-13-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000343-13-4
Multi CAS
Yes
Molecular Formula
C9H8BrN
Molecular Weight
210.070000
Exact Mass
208.984010
SMILES
CC1=CC2=C(C=CN2)C=C1Br
InChI
InChI=1S/C9H8BrN/c1-6-4-9-7(2-3-11-9)5-8(6)10/h2-5,11H,1H3
InChIKey
VHHRJOFNSFDEHH-UHFFFAOYSA-N
Synonyms
5-bromo-6-methyl-1H-indole 5-BROMO-6-METHYLINDOLE 5-Bromo-6-methyl indole 1H-Indole, 5-bromo-6-methyl- MFCD09026969

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond donors
1
Molar refractivity
50.74
TPSA
15.79

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-1.7

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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