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CAS 1381929-21-0 (R)-2-(5-Fluoro-2-methylphenyl)pyrrolidine hydrochloride molecular structure lightbox
CAS RN: 1381929-21-0

(R)-2-(5-Fluoro-2-methylphenyl)pyrrolidine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1381929-21-0
  • Purity/Analytical Methods: >99.0%
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1381929-21-0 / (2R)-2-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride

Standard CAS: 1381929-21-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1381929-21-0
Multi CAS
No
Molecular Formula
C11H15ClFN
Molecular Weight
215.690000
Exact Mass
215.087705
SMILES
CC1=C(C=C(C=C1)F)[C@H]2CCCN2.Cl
InChI
InChI=1S/C11H14FN.ClH/c1-8-4-5-9(12)7-10(8)11-3-2-6-13-11;/h4-5,7,11,13H,2-3,6H2,1H3;1H/t11-;/m1./s1
InChIKey
GOGWAFLJIMUBQJ-RFVHGSKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.36
TPSA
12.03

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
2.98
Consensus LogP
2.86
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-1.92

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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