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CAS 197230-31-2 (R)-2-allylpyrrolidine hydrochloride molecular structure lightbox
CAS RN: 197230-31-2

(R)-2-allylpyrrolidine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS197230-31-2
  • Purity/Analytical Methods: >99.0%
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197230-31-2 / (2R)-2-prop-2-enylpyrrolidine;hydrochloride

Standard CAS: 197230-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197230-31-2
Multi CAS
No
Molecular Formula
C7H14ClN
Molecular Weight
147.640000
Exact Mass
147.081477
SMILES
C=CC[C@H]1CCCN1.Cl
InChI
InChI=1S/C7H13N.ClH/c1-2-4-7-5-3-6-8-7;/h2,7-8H,1,3-6H2;1H/t7-;/m0./s1
InChIKey
NKBQANIGCPEPGT-FJXQXJEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.09
TPSA
12.03

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1.74
Consensus LogP
1.67
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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