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CAS 508241-14-3 Pyrazino[2,1-c][1,4]oxazine, octahydro-, (9aR)- (9CI) molecular structure lightbox
CAS RN: 508241-14-3

Pyrazino[2,1-c][1,4]oxazine, octahydro-, (9aR)- (9CI)

  • Product code: SSC-157576
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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: 0.25g
  • Available purity: ＞97%
  • 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 508241-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

508241-14-3 / (9aR)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine

Standard CAS: 508241-14-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
508241-14-3
Multi CAS
Yes
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
InChI
InChI=1S/C7H14N2O/c1-2-9-3-4-10-6-7(9)5-8-1/h7-8H,1-6H2/t7-/m1/s1
InChIKey
ZWNWCROZSHWHSF-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.05
TPSA
24.5

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.63
XLogP3
-0.7
Consensus LogP
-0.68
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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