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CAS 101774-27-0 6-Bromoindole-3-carboxylic acid molecular structure lightbox
CAS RN: 101774-27-0

6-Bromoindole-3-carboxylic acid

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 1g In stock Inquiry
Batchno.20260601 250mg In stock Inquiry
Batchno.20251025 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250122 100mg / 5g / 10g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-002762
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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: 1g, 0.25g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 101774-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

101774-27-0 / 6-bromo-1H-indole-3-carboxylic acid

6-Bromo-1H-indole-3-carboxylic acid | DTXSID60570991 | RefChem:104276

Standard CAS: 101774-27-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101774-27-0
Multi CAS
Yes
Molecular Formula
C9H6BrNO2
Molecular Weight
240.050000
Exact Mass
238.958190
SMILES
C1=CC2=C(C=C1Br)NC=C2C(=O)O
InChI
InChI=1S/C9H6BrNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)
InChIKey
INNZWYJJSSRJET-UHFFFAOYSA-N
Synonyms
6-Bromo-1H-indole-3-carboxylic acid DTXSID60570991 RefChem:104276 DTXCID80521763 6-bromo-1H-indole-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
52.96
TPSA
53.09

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.7
Consensus LogP
2.55
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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