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CAS 61467-70-7 Pyrrolidine, 3-methoxy-1-nitroso- (9CI) molecular structure lightbox
CAS RN: 61467-70-7

Pyrrolidine, 3-methoxy-1-nitroso- (9CI)

  • Product code: SSC-170351
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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 61467-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

61467-70-7 / 3-methoxy-1-nitrosopyrrolidine

Standard CAS: 61467-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61467-70-7
Multi CAS
No
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
InChI
InChI=1S/C5H10N2O2/c1-9-5-2-3-7(4-5)6-8/h5H,2-4H2,1H3
InChIKey
IOTADEWDVQTMHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
32.78
TPSA
41.9

LogP / Solubility

WLOGP
0.39
MLOGP
0.33
XLogP3
0.2
Consensus LogP
0.31
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-3.24

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

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