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CAS 547770-15-0 Benzenemethanol, alpha-(aminomethyl)-4-fluoro-3-methoxy- (9CI) molecular structure lightbox
CAS RN: 547770-15-0

Benzenemethanol, alpha-(aminomethyl)-4-fluoro-3-methoxy- (9CI)

  • Product code: SSC-162611
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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: 0.25g
  • 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 547770-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry

547770-15-0 / 2-amino-1-(4-fluoro-3-methoxyphenyl)ethanol

Standard CAS: 547770-15-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
547770-15-0
Multi CAS
Yes
Molecular Formula
C9FH12NO2
Molecular Weight
185.200000
Exact Mass
185.085207
InChI
InChI=1S/C9H12FNO2/c1-13-9-4-6(8(12)5-11)2-3-7(9)10/h2-4,8,12H,5,11H2,1H3
InChIKey
RJYCTAQEHBSFSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.97
TPSA
55.48

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.2
Consensus LogP
0.59
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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