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CAS 10075-51-1 1-Benzyl-5-bromo-1H-indole molecular structure lightbox
CAS RN: 10075-51-1

1-Benzyl-5-bromo-1H-indole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-001460
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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: 5g
  • 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 10075-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

10075-51-1 / 1-benzyl-5-bromoindole

1-benzyl-5-bromo-1H-indole | DTXSID10301419 | RefChem:429961

Standard CAS: 10075-51-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10075-51-1
Multi CAS
Yes
Molecular Formula
C15H12BrN
Molecular Weight
286.170000
Exact Mass
285.015310
SMILES
C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)Br
InChI
InChI=1S/C15H12BrN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKey
AQXJFUYUNHLBGU-UHFFFAOYSA-N
Synonyms
1-benzyl-5-bromo-1H-indole DTXSID10301419 RefChem:429961 DTXCID10252553 107-212-3

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
75.18
TPSA
4.93

LogP / Solubility

WLOGP
4.45
MLOGP
3.93
XLogP3
4.3
Consensus LogP
4.23
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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