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CAS 103275-21-4 3-Bromo-4-(tert-butyl)aniline molecular structure lightbox
CAS RN: 103275-21-4

3-Bromo-4-(tert-butyl)aniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251231 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-004718
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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: ≥95%
  • 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 103275-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

103275-21-4 / 3-bromo-4-tert-butylaniline

3-Bromo-4-(tert-butyl)aniline | DTXSID10329774 | RefChem:1067420

Standard CAS: 103275-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103275-21-4
Multi CAS
No
Molecular Formula
C10H14BrN
Molecular Weight
228.130000
Exact Mass
227.030960
SMILES
CC(C)(C)C1=C(C=C(C=C1)N)Br
InChI
InChI=1S/C10H14BrN/c1-10(2,3)8-5-4-7(12)6-9(8)11/h4-6H,12H2,1-3H3
InChIKey
AXNHKDCJNXKFFT-UHFFFAOYSA-N
Synonyms
3-Bromo-4-(tert-butyl)aniline DTXSID10329774 RefChem:1067420 DTXCID70280872 3-bromo-4-tert-butylaniline

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.25
TPSA
26.02

LogP / Solubility

WLOGP
3.33
MLOGP
2.93
XLogP3
3.6
Consensus LogP
3.29
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-1.75

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

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