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CAS 2250243-14-0 (R)-5-METHYL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE HYDROCHLRIDE molecular structure lightbox
CAS RN: 2250243-14-0

(R)-5-METHYL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE HYDROCHLRIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2250243-14-0
  • Purity/Analytical Methods: >99.0%
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2250243-14-0 / 5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

Standard CAS: 2250243-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2250243-14-0
Multi CAS
No
Molecular Formula
C11H16ClN
Molecular Weight
197.700000
Exact Mass
197.097127
SMILES
CC1=C2CCCC(C2=CC=C1)N.Cl
InChI
InChI=1S/C11H15N.ClH/c1-8-4-2-6-10-9(8)5-3-7-11(10)12;/h2,4,6,11H,3,5,7,12H2,1H3;1H/t11-;/m1./s1
InChIKey
TZMYJYRNPJFPHL-RFVHGSKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.29
TPSA
26.02

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
2.75
Consensus LogP
2.64
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-1.97

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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