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CAS 130343-14-5 Pyridine, 4-(2-pyrrolidinyl)-, (+)- (9CI) molecular structure lightbox
CAS RN: 130343-14-5

Pyridine, 4-(2-pyrrolidinyl)-, (+)- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS130343-14-5
  • Purity/Analytical Methods: >99.0%
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130343-14-5 / 4-pyrrolidin-2-ylpyridine

Standard CAS: 130343-14-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
130343-14-5
Multi CAS
No
Molecular Formula
C9H12N2
Molecular Weight
148.200000
Exact Mass
148.100048
SMILES
C1CC(NC1)C2=CC=NC=C2
InChI
InChI=1S/C9H12N2/c1-2-9(11-5-1)8-3-6-10-7-4-8/h3-4,6-7,9,11H,1-2,5H2
InChIKey
GDGNPIOGJLCICG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.21
TPSA
24.92

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
0.7
Consensus LogP
1.18
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-2.55

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger Warning
GHS Hazard Statements
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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