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CAS 334981-11-2 1-((4-Hydrazinylbenzyl)sulfonyl)pyrrolidine hydrochloride molecular structure lightbox
CAS RN: 334981-11-2

1-((4-Hydrazinylbenzyl)sulfonyl)pyrrolidine hydrochloride

  • Product code: SSC-139594
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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 334981-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

334981-11-2 / [4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine;hydrochloride

Standard CAS: 334981-11-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
334981-11-2
Multi CAS
Yes
Molecular Formula
C11H18CLN3O2S
Molecular Weight
291.800000
Exact Mass
291.080826
InChI
InChI=1S/C11H17N3O2S.ClH/c12-13-11-5-3-10(4-6-11)9-17(15,16)14-7-1-2-8-14;/h3-6,13H,1-2,7-9,12H2;1H
InChIKey
KDPFNFGHCNPPAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
74.93
TPSA
75.43

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56

Drug-likeness / Medicinal Chemistry

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

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