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CAS 856563-05-8 (R)-1-(3,4-DiMethylphenyl)propan-1-aMine hydrochloride molecular structure lightbox
CAS RN: 856563-05-8

(R)-1-(3,4-DiMethylphenyl)propan-1-aMine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS856563-05-8
  • Purity/Analytical Methods: >99.0%
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856563-05-8 / 1-(3,4-dimethylphenyl)propan-1-amine;hydrochloride

Standard CAS: 856563-05-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
856563-05-8
Multi CAS
Yes
Molecular Formula
C11H18CLN
Molecular Weight
199.720000
Exact Mass
199.112777
InChI
InChI=1S/C11H17N.ClH/c1-4-11(12)10-6-5-8(2)9(3)7-10;/h5-7,11H,4,12H2,1-3H3;1H
InChIKey
DHOYDEIOTDWSJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.38
TPSA
26.02

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
3.14
Consensus LogP
3.01
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-1.71

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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