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CAS 64614-51-3 2-CHLORO-5-(PYRROLIDINE-1-SULFONYL)-PYRIDINE molecular structure lightbox
CAS RN: 64614-51-3

2-CHLORO-5-(PYRROLIDINE-1-SULFONYL)-PYRIDINE

  • Product code: SSC-174340
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 64614-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

64614-51-3 / 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine

Standard CAS: 64614-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64614-51-3
Multi CAS
No
Molecular Formula
C9H11CLN2O2S
Molecular Weight
246.710000
Exact Mass
246.022977
InChI
InChI=1S/C9H11ClN2O2S/c10-9-4-3-8(7-11-9)15(13,14)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKey
HBZKJCDPAUHBFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.24
TPSA
50.27

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.4
Consensus LogP
1.42
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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