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CAS 55687-29-1 2(1H)-Quinoxalinone,3,4-dihydro-7-methoxy-(9CI) molecular structure lightbox
CAS RN: 55687-29-1

2(1H)-Quinoxalinone,3,4-dihydro-7-methoxy-(9CI)

  • Product code: SSC-163618
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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 55687-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

55687-29-1 / 7-methoxy-3,4-dihydro-1H-quinoxalin-2-one

Standard CAS: 55687-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55687-29-1
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
InChI
InChI=1S/C9H10N2O2/c1-13-6-2-3-7-8(4-6)11-9(12)5-10-7/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey
CWSKPUZRLFKZFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.11
TPSA
50.36

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

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