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CAS 680569-18-0 Methyl 6-broMo-1-Methylindole-2-carboxylate molecular structure lightbox
CAS RN: 680569-18-0

Methyl 6-broMo-1-Methylindole-2-carboxylate

  • Product code: SSC-177770
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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, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 680569-18-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Beijing Inquiry

680569-18-0 / methyl 6-bromo-1-methylindole-2-carboxylate

Standard CAS: 680569-18-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
680569-18-0
Multi CAS
No
Molecular Formula
BC11H10O2Rn
Molecular Weight
268.110000
Exact Mass
266.989490
InChI
InChI=1S/C11H10BrNO2/c1-13-9-6-8(12)4-3-7(9)5-10(13)11(14)15-2/h3-6H,1-2H3
InChIKey
RCDWEKOOOHATJC-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
3
Molar refractivity
61.96
TPSA
31.23

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.9
Consensus LogP
2.68
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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