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CAS 207287-79-4 3′-METHOXY-BIPHENYL-4-YLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 207287-79-4

3′-METHOXY-BIPHENYL-4-YLAMINE HYDROCHLORIDE

  • Product code: SSC-097601
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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: 1g, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 207287-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Beijing Inquiry

207287-79-4 / 4-(3-methoxyphenyl)aniline

Standard CAS: 207287-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207287-79-4
Multi CAS
No
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
SMILES
COC1=CC=CC(=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H13NO/c1-15-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10/h2-9H,14H2,1H3
InChIKey
OSWFIVFLDKOXQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.84
TPSA
35.25

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
3.2
Consensus LogP
2.91
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-1.84

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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