[email protected]
CAS 126811-14-1 5,7-Dibromoindole-3-carbaldehyde molecular structure lightbox
CAS RN: 126811-14-1

5,7-Dibromoindole-3-carbaldehyde

  • Product code: SSC-034008
GET A QUOTE
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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 126811-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Hong Kong Inquiry

126811-14-1 / 5,7-dibromo-1H-indole-3-carbaldehyde

Standard CAS: 126811-14-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
126811-14-1
Multi CAS
No
Molecular Formula
C9H5Br2NO
Molecular Weight
302.950000
Exact Mass
302.871740
SMILES
C1=C(C=C(C2=C1C(=CN2)C=O)Br)Br
InChI
InChI=1S/C9H5Br2NO/c10-6-1-7-5(4-13)3-12-9(7)8(11)2-6/h1-4,12H
InChIKey
JNRVKWFIKFDURF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.09
TPSA
32.86

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
2.9
Consensus LogP
3.17
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us