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CAS 78338-31-5 cis-3,5-Dimethyl-1-nitrosopiperidine molecular structure lightbox
CAS RN: 78338-31-5

cis-3,5-Dimethyl-1-nitrosopiperidine

  • Product code: SSC-187781
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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 78338-31-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

78338-31-5 / 3,5-dimethyl-1-nitrosopiperidine

Standard CAS: 78338-31-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78338-31-5
Multi CAS
Yes
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
InChI
InChI=1S/C7H14N2O/c1-6-3-7(2)5-9(4-6)8-10/h6-7H,3-5H2,1-2H3
InChIKey
QGLSEFISGRBIML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.31
TPSA
32.67

LogP / Solubility

WLOGP
1.65
MLOGP
1.44
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.42

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
2.5

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