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CAS 110811-31-9 4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 110811-31-9

4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-011755
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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, 5g, 0.25g, 0.1g, 10g, 25g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 12
  • 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 110811-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g -- 5 In Stock Hong Kong Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
0.25g -- 4 In Stock Beijing Inquiry
0.25g >98% 4 In Stock Hong Kong Inquiry
0.1g -- 2 In Stock Shenzhen Inquiry
0.1g >98% 2 In Stock Shanghai Inquiry
10g -- 2 In Stock Shenzhen Inquiry
10g >98% 2 In Stock Shenzhen Inquiry
25g >98% 2 In Stock Beijing Inquiry
25g -- 1 In Stock Shanghai Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

110811-31-9 / 4-bromo-1H-indole-3-carboxylic acid

4-Bromo-1H-indole-3-carboxylic acid | DTXSID40553666 | RefChem:290537

Standard CAS: 110811-31-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110811-31-9
Multi CAS
Yes
Molecular Formula
C9H6BrNO2
Molecular Weight
240.050000
Exact Mass
238.958190
SMILES
C1=CC2=C(C(=C1)Br)C(=CN2)C(=O)O
InChI
InChI=1S/C9H6BrNO2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,(H,12,13)
InChIKey
GJQQLCJFHKJARJ-UHFFFAOYSA-N
Synonyms
4-Bromo-1H-indole-3-carboxylic acid DTXSID40553666 RefChem:290537 DTXCID70504449 835-438-9

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
2.3
Consensus LogP
2.42
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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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