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CAS 81593-54-6 5-Methoxy-2,3-dihydro-1H-inden-2-aMine hydrochloride molecular structure lightbox
CAS RN: 81593-54-6

5-Methoxy-2,3-dihydro-1H-inden-2-aMine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS81593-54-6
  • Purity/Analytical Methods: >99.0%
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81593-54-6 / 5-methoxy-2,3-dihydro-1H-inden-2-amine;hydrochloride

Standard CAS: 81593-54-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81593-54-6
Multi CAS
No
Molecular Formula
C10H14CLNO
Molecular Weight
199.680000
Exact Mass
199.076392
InChI
InChI=1S/C10H13NO.ClH/c1-12-10-3-2-7-4-9(11)5-8(7)6-10;/h2-3,6,9H,4-5,11H2,1H3;1H
InChIKey
UXHKKYAVZDAYIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.63
TPSA
35.25

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.84

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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