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CAS 774191-64-9 2-[(4-BROMOBENZYL)AMINO]ETHANOL HYDROCHLORIDE molecular structure lightbox
CAS RN: 774191-64-9

2-[(4-BROMOBENZYL)AMINO]ETHANOL HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS774191-64-9
  • Purity/Analytical Methods: >99.0%
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774191-64-9 / 2-[(4-bromophenyl)methylamino]ethanol

Standard CAS: 774191-64-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
774191-64-9
Multi CAS
Yes
Molecular Formula
BC9H12ORn
Molecular Weight
230.100000
Exact Mass
229.010230
InChI
InChI=1S/C9H12BrNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-4,11-12H,5-7H2
InChIKey
WXNPLUJAXBAUFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.93
TPSA
32.26

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-3.04

Drug-likeness / Medicinal Chemistry

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

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