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CAS 524674-42-8 2-(5-CHLOROTHIEN-2-YL)PYRROLIDINE molecular structure lightbox
CAS RN: 524674-42-8

2-(5-CHLOROTHIEN-2-YL)PYRROLIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS524674-42-8
  • Purity/Analytical Methods: >99.0%
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524674-42-8 / 2-(5-chlorothiophen-2-yl)pyrrolidine

Standard CAS: 524674-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
524674-42-8
Multi CAS
No
Molecular Formula
C8H10CLNS
Molecular Weight
187.690000
Exact Mass
187.022248
InChI
InChI=1S/C8H10ClNS/c9-8-4-3-7(11-8)6-2-1-5-10-6/h3-4,6,10H,1-2,5H2
InChIKey
XMSYAIXTGCQRQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.31
TPSA
12.03

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.5
Consensus LogP
2.61
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-1.86

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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