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CAS 1213846-75-3 (R)-Cyclopropyl(2-fluorophenyl)MethanaMine hydrochloride molecular structure lightbox
CAS RN: 1213846-75-3

(R)-Cyclopropyl(2-fluorophenyl)MethanaMine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1213846-75-3
  • Purity/Analytical Methods: >99.0%
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1213846-75-3 / (R)-cyclopropyl-(2-fluorophenyl)methanamine;hydrochloride

Standard CAS: 1213846-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1213846-75-3
Multi CAS
No
Molecular Formula
C10H13ClFN
Molecular Weight
201.670000
Exact Mass
201.072055
SMILES
C1CC1[C@H](C2=CC=CC=C2F)N.Cl
InChI
InChI=1S/C10H12FN.ClH/c11-9-4-2-1-3-8(9)10(12)7-5-6-7;/h1-4,7,10H,5-6,12H2;1H/t10-;/m1./s1
InChIKey
ZERUEQOFZLOJJX-HNCPQSOCSA-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
53.3
TPSA
26.02

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.66
Consensus LogP
2.55
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.06

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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