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CAS 327061-16-5 2,7-bis((4-methylpiperidin-1-yl)sulfonyl)-9H-fluoren-9-one oxime molecular structure lightbox
CAS RN: 327061-16-5

2,7-bis((4-methylpiperidin-1-yl)sulfonyl)-9H-fluoren-9-one oxime

  • Product code: SSC-138383
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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 327061-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

327061-16-5 / N-[2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-ylidene]hydroxylamine

Standard CAS: 327061-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
327061-16-5
Multi CAS
No
Molecular Formula
C25H31N3O5S2
Molecular Weight
517.700000
Exact Mass
517.170513
InChI
InChI=1S/C25H31N3O5S2/c1-17-7-11-27(12-8-17)34(30,31)19-3-5-21-22-6-4-20(16-24(22)25(26-29)23(21)15-19)35(32,33)28-13-9-18(2)10-14-28/h3-6,15-18,29H,7-14H2,1-2H3
InChIKey
VBLUFGYBAPIWMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
133.62
TPSA
107.35

LogP / Solubility

WLOGP
3.73
MLOGP
3.32
XLogP3
4.2
Consensus LogP
3.75
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.23

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
3.5

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