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CAS 1363166-05-5 4-Fluoro-2-[(MethylaMino)Methyl]phenol molecular structure lightbox
CAS RN: 1363166-05-5

4-Fluoro-2-[(MethylaMino)Methyl]phenol

  • Product code: SSC-045224
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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
  • Available purity: >95%
  • 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 1363166-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
5g >95% 1 In Stock Beijing Inquiry

1363166-05-5 / 4-fluoro-2-(methylaminomethyl)phenol

Standard CAS: 1363166-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363166-05-5
Multi CAS
No
Molecular Formula
C8H10FNO
Molecular Weight
155.170000
Exact Mass
155.074642
SMILES
CNCC1=C(C=CC(=C1)F)O
InChI
InChI=1S/C8H10FNO/c1-10-5-6-4-7(9)2-3-8(6)11/h2-4,10-11H,5H2,1H3
InChIKey
NFRQMEOKZASTGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.83
TPSA
32.26

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.4
Consensus LogP
1.25
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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