[email protected]
CAS 1694042-51-7 7-BROMOSPIRO[CYCLOPROPANE-1,3-INDOLINE] molecular structure lightbox
CAS RN: 1694042-51-7

7-BROMOSPIRO[CYCLOPROPANE-1,3-INDOLINE]

  • Product code: SSC-073980
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: 0.25g, 0.1g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 1694042-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1694042-51-7 / 7-bromospiro[1,2-dihydroindole-3,1'-cyclopropane]

Standard CAS: 1694042-51-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1694042-51-7
Multi CAS
No
Molecular Formula
C10H10BrN
Molecular Weight
224.100000
Exact Mass
222.999660
SMILES
C1CC12CNC3=C2C=CC=C3Br
InChI
InChI=1S/C10H10BrN/c11-8-3-1-2-7-9(8)12-6-10(7)4-5-10/h1-3,12H,4-6H2
InChIKey
CKYIPMDJSNLMKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.54
TPSA
12.03

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us