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CAS 790272-10-5 INDEX NAME NOT YET ASSIGNED molecular structure lightbox
CAS RN: 790272-10-5

INDEX NAME NOT YET ASSIGNED

  • Product code: SSC-188247
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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 790272-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

790272-10-5 / 2-(3-methoxyanilino)acetohydrazide

Standard CAS: 790272-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
790272-10-5
Multi CAS
No
Molecular Formula
C9H13N3O2
Molecular Weight
195.220000
Exact Mass
195.100777
InChI
InChI=1S/C9H13N3O2/c1-14-8-4-2-3-7(5-8)11-6-9(13)12-10/h2-5,11H,6,10H2,1H3,(H,12,13)
InChIKey
OSZINLRWLKBKHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
53.81
TPSA
76.38

LogP / Solubility

WLOGP
0.1
MLOGP
0.08
XLogP3
1
Consensus LogP
0.39
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.84

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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