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CAS 107650-22-6 6-BROMO-4-INDOLECARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 107650-22-6

6-BROMO-4-INDOLECARBOXYLIC ACID METHYL ESTER

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 10g In stock Inquiry
Batchno.20260425 1g In stock Inquiry
Batchno.20250828 25g In stock Inquiry
Batchno.20251205 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-009140
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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: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 107650-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

107650-22-6 / methyl 6-bromo-1H-indole-4-carboxylate

methyl 6-bromo-1H-indole-4-carboxylate | 1H-Indole-4-carboxylic acid, 6-bromo-, methyl ester | DTXSID70548949

Standard CAS: 107650-22-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107650-22-6
Multi CAS
Yes
Molecular Formula
C10H8BrNO2
Molecular Weight
254.080000
Exact Mass
252.973840
SMILES
COC(=O)C1=C2C=CNC2=CC(=C1)Br
InChI
InChI=1S/C10H8BrNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
InChIKey
KPFSQBKJYHWFME-UHFFFAOYSA-N
Synonyms
methyl 6-bromo-1H-indole-4-carboxylate 1H-Indole-4-carboxylic acid, 6-bromo-, methyl ester DTXSID70548949 RefChem:817301 DTXCID00499733

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.34
TPSA
42.09

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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