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CAS 1187929-39-0 4-BroMo-2,3-dihydro-1H-indole hydrochloride molecular structure lightbox
CAS RN: 1187929-39-0

4-BroMo-2,3-dihydro-1H-indole hydrochloride

  • Product code: SSC-018815
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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, 0.1g, 5g, 0.25g
  • 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 1187929-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry

1187929-39-0 / 4-bromo-2,3-dihydro-1H-indole;hydrochloride

4-Bromoindoline hydrochloride | 4-BROMO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE | MFCD09026827

Standard CAS: 1187929-39-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187929-39-0
Multi CAS
Yes
Molecular Formula
C8H9BrClN
Molecular Weight
234.520000
Exact Mass
232.960690
SMILES
C1CNC2=C1C(=CC=C2)Br.Cl
InChI
InChI=1S/C8H8BrN.ClH/c9-7-2-1-3-8-6(7)4-5-10-8;/h1-3,10H,4-5H2;1H
InChIKey
GPBLDBWJVQIPCC-UHFFFAOYSA-N
Synonyms
4-Bromoindoline hydrochloride 4-BROMO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE MFCD09026827 4-BROMOINDOLINE HCL 4-bromo-2,3-dihydro-1H-indole;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.58
TPSA
12.03

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

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

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