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CAS 1188174-30-2 5-bromo-2,3-dihydro-1H-indene-1-carbonitrile molecular structure lightbox
CAS RN: 1188174-30-2

5-bromo-2,3-dihydro-1H-indene-1-carbonitrile

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260613 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250207 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250206 5g In stock Shanghai Inquiry
  • Product code: SSC-019007
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1188174-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1188174-30-2 / 5-bromo-2,3-dihydro-1H-indene-1-carbonitrile

5-Bromo-2,3-dihydro-1H-indene-1-carbonitrile | MFCD11219692 | 5-bromoindane-1-carbonitrile

Standard CAS: 1188174-30-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1188174-30-2
Multi CAS
No
Molecular Formula
C10H8BrN
Molecular Weight
222.080000
Exact Mass
220.984010
SMILES
C1CC2=C(C1C#N)C=CC(=C2)Br
InChI
InChI=1S/C10H8BrN/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h3-5,8H,1-2H2
InChIKey
VCYIHVIROJEXNZ-UHFFFAOYSA-N
Synonyms
5-Bromo-2,3-dihydro-1H-indene-1-carbonitrile MFCD11219692 5-bromoindane-1-carbonitrile SCHEMBL14790129 SCHEMBL31370935

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
50.82
TPSA
23.79

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
2.7
Consensus LogP
2.78
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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