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CAS 80948-74-9 (4-Bromo-3-methyl-phenyl)-methyl-amine molecular structure lightbox
CAS RN: 80948-74-9

(4-Bromo-3-methyl-phenyl)-methyl-amine

  • Product code: SSC-189572
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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 80948-74-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

80948-74-9 / 4-bromo-N,3-dimethylaniline

Standard CAS: 80948-74-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80948-74-9
Multi CAS
No
Molecular Formula
BC8H10Rn
Molecular Weight
200.080000
Exact Mass
198.999660
InChI
InChI=1S/C8H10BrN/c1-6-5-7(10-2)3-4-8(6)9/h3-5,10H,1-2H3
InChIKey
KTOXSFXMKFCJGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.43
TPSA
12.03

LogP / Solubility

WLOGP
2.8
MLOGP
2.46
XLogP3
3.6
Consensus LogP
2.95
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-1.95

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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