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CAS 233608-09-8 1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 233608-09-8

1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS233608-09-8
  • Purity/Analytical Methods: >99.0%
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233608-09-8 / 1-(4-bromophenyl)-2-methylpropan-1-amine;hydrochloride

Standard CAS: 233608-09-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
233608-09-8
Multi CAS
No
Molecular Formula
C10H15BrClN
Molecular Weight
264.590000
Exact Mass
263.007640
SMILES
CC(C)C(C1=CC=C(C=C1)Br)N.Cl
InChI
InChI=1S/C10H14BrN.ClH/c1-7(2)10(12)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H
InChIKey
LEQDIWNGVYSISP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.16
TPSA
26.02

LogP / Solubility

WLOGP
3.53
MLOGP
3.11
XLogP3
3.53
Consensus LogP
3.39
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

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

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