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CAS 886362-83-0 1-(4-BROMOPHENYL)-1-(4-HYDROXYPHENYL)METHYLAMINE molecular structure lightbox
CAS RN: 886362-83-0

1-(4-BROMOPHENYL)-1-(4-HYDROXYPHENYL)METHYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250727 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINB926490
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886362-83-0 / 4-[amino-(4-bromophenyl)methyl]phenol

Standard CAS: 886362-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886362-83-0
Multi CAS
No
Molecular Formula
BC13H12ORn
Molecular Weight
278.140000
Exact Mass
277.010230
InChI
InChI=1S/C13H12BrNO/c14-11-5-1-9(2-6-11)13(15)10-3-7-12(16)8-4-10/h1-8,13,16H,15H2
InChIKey
COTBFWYVJVSILN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.28
TPSA
46.25

LogP / Solubility

WLOGP
3.2
MLOGP
2.83
XLogP3
2.8
Consensus LogP
2.94
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

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

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