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CAS 400745-54-2 2′-METHYL [1,1′-BIPHENYL]-3-AMINE molecular structure lightbox
CAS RN: 400745-54-2

2′-METHYL [1,1′-BIPHENYL]-3-AMINE

  • Product code: SSC-147991
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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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 400745-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g >97% 2 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shenzhen Inquiry

400745-54-2 / 3-(2-methylphenyl)aniline

Standard CAS: 400745-54-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
400745-54-2
Multi CAS
Yes
Molecular Formula
C13H13N
Molecular Weight
183.250000
Exact Mass
183.104799
InChI
InChI=1S/C13H13N/c1-10-5-2-3-8-13(10)11-6-4-7-12(14)9-11/h2-9H,14H2,1H3
InChIKey
VSKSSQACZWHPED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.03
TPSA
26.02

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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