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CAS 36883-36-0 2-benzhydryl-2,5,7-triazaspiro[3.4]octane-6,8-dione molecular structure lightbox
CAS RN: 36883-36-0

2-benzhydryl-2,5,7-triazaspiro[3.4]octane-6,8-dione

  • Product code: SSC-144138
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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 36883-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

36883-36-0 / 2-benzhydryl-2,5,7-triazaspiro[3.4]octane-6,8-dione

Standard CAS: 36883-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36883-36-0
Multi CAS
No
Molecular Formula
C18H17N3O2
Molecular Weight
307.300000
Exact Mass
307.132077
InChI
InChI=1S/C18H17N3O2/c22-16-18(20-17(23)19-16)11-21(12-18)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,19,20,22,23)
InChIKey
WKSAPRZVBCMEQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.71
TPSA
61.44

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
1.8
Consensus LogP
1.65
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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