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CAS 130761-99-8 1-N-CBZ-3-PYRROLIDINONE molecular structure lightbox
CAS RN: 130761-99-8

1-N-CBZ-3-PYRROLIDINONE

  • Product code: SSC-037329
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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 130761-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

130761-99-8 / [aminomethyl(methyl)phosphoryl]methanamine;platinum(2+);dichloride

Standard CAS: 130761-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130761-99-8
Multi CAS
No
Molecular Formula
C3H11Cl2N2OPPt
Molecular Weight
388.090000
Exact Mass
386.963400
SMILES
CP(=O)(CN)CN.[Cl-].[Cl-].[Pt+2]
InChI
InChI=1S/C13H14O3/c14-12-7-6-11(8-12)13(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
UJDODTGHYKJEAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.64
TPSA
69.11

LogP / Solubility

WLOGP
-6.18
MLOGP
-5.42
XLogP3
-6.18
Consensus LogP
-5.93
Log S (ESOL)
1.78
Class (ESOL)
Highly soluble
Log S (Ali)
1.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.71
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.48

Drug-likeness / Medicinal Chemistry

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

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